data_2l7m_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 2l7m _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 CA--C 1.537 0.449 0 CA-C-O 120.921 0.391 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.8 p -107.01 160.62 15.4 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.176 1.391 . . . . 0.0 111.444 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -60.44 -11.66 7.43 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -95.8 -41.53 8.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.244 1.418 . . . . 0.0 112.548 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.91 -40.83 94.63 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.252 -0.905 . . . . 0.0 111.704 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.64 -30.06 65.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.954 1.302 . . . . 0.0 113.138 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -71.51 -41.18 69.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.427 0.691 . . . . 0.0 111.461 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -70.88 -33.09 70.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.049 0.539 . . . . 0.0 111.924 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.88 -51.32 62.65 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.336 1.055 . . . . 0.0 111.592 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.45 -20.06 60.8 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.02 -47.1 30.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.617 0.767 . . . . 0.0 111.935 169.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -71.23 -23.39 61.99 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.931 -1.106 . . . . 0.0 112.682 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.92 -23.53 61.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.523 1.529 . . . . 0.0 112.624 169.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -77.68 -38.43 47.53 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.296 -0.877 . . . . 0.0 113.013 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.2 -25.65 31.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.794 1.238 . . . . 0.0 113.021 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -140.55 107.64 5.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.886 1.274 . . . . 0.0 110.361 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -87.64 -6.97 58.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.615 0.766 . . . . 0.0 112.975 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -153.24 65.2 5.44 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.219 1.408 . . . . 0.0 111.987 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -67.73 154.83 72.18 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.446 2.098 . . . . 0.0 112.565 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -118.36 177.15 4.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.468 2.307 . . . . 0.0 110.185 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.6 ptm -48.08 -32.91 7.36 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.636 -1.29 . . . . 0.0 113.886 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 35.5 m -80.07 -42.0 24.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.322 0.649 . . . . 0.0 112.332 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -33.73 28.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.025 0.93 . . . . 0.0 113.104 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.32 -44.77 84.46 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.058 -1.026 . . . . 0.0 111.16 169.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.34 -42.39 92.92 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.243 0.474 . . . . 0.0 112.075 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -51.58 -40.92 60.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.805 0.842 . . . . 0.0 112.895 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.25 -32.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.968 0.804 . . . . 0.0 111.469 178.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.1 -28.21 64.16 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.83 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.28 -31.57 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 127.194 2.197 . . . . 0.0 114.121 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -115.7 5.78 14.32 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.854 1.262 . . . . 0.0 113.495 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -114.08 3.86 15.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 113.182 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t30 57.55 44.04 21.68 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.638 1.575 . . . . 0.0 113.639 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -117.24 -176.92 3.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.314 1.846 . . . . 0.0 111.243 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -130.5 162.25 29.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.976 1.311 . . . . 0.0 109.694 168.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.53 -29.99 64.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.36 88.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.019 0.928 . . . . 0.0 112.29 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -59.31 -46.46 88.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.887 0.875 . . . . 0.0 110.313 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.8 t -63.32 -45.44 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.011 0.525 . . . . 0.0 110.936 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -58.86 -46.53 87.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.874 0.869 . . . . 0.0 112.119 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.85 -43.78 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.017 1.327 . . . . 0.0 111.31 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.13 -49.51 71.89 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 122.794 0.438 . . . . 0.0 111.814 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -63.59 -32.97 74.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.682 0.793 . . . . 0.0 112.402 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -65.33 -48.7 72.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.638 0.775 . . . . 0.0 111.195 174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 . . . . . 0 CA--C 1.538 0.512 0 C-N-CA 122.942 0.497 . . . . 0.0 111.584 175.041 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.732 0.301 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -100.57 158.96 15.54 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.448 1.099 . . . . 0.0 111.237 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.6 m -61.23 -11.44 9.44 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.21 -40.76 9.02 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.271 1.428 . . . . 0.0 112.519 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.58 -42.27 96.37 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.271 -0.893 . . . . 0.0 111.654 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -55.8 -31.71 62.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.965 1.306 . . . . 0.0 113.197 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -69.49 -40.4 77.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -73.02 -31.0 64.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.354 0.661 . . . . 0.0 111.835 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.46 -51.08 55.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.389 1.076 . . . . 0.0 111.573 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.76 -23.88 63.44 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.24 -47.42 35.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.118 0.872 . . . . 0.0 112.222 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.9 t -70.91 -25.41 62.75 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.012 -1.055 . . . . 0.0 112.565 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -57.46 -29.44 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.307 1.443 . . . . 0.0 111.952 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -71.97 -39.51 69.29 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.431 -0.793 . . . . 0.0 113.088 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -82.69 -27.2 31.4 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.554 0.742 . . . . 0.0 112.812 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -138.63 101.05 4.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.658 1.183 . . . . 0.0 110.489 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -84.26 -4.98 59.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.948 0.899 . . . . 0.0 112.898 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -152.26 63.99 5.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.701 1.6 . . . . 0.0 112.078 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.67 156.27 66.06 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.558 2.172 . . . . 0.0 112.354 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -119.66 176.75 5.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.09 2.156 . . . . 0.0 110.433 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.0 ptm -49.68 -31.27 10.72 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.804 -1.185 . . . . 0.0 113.92 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.2 m -81.35 -42.6 20.27 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.512 0.725 . . . . 0.0 112.297 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.92 34.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.3 -46.01 79.99 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.363 0.983 . . . . 0.0 111.449 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.46 -40.6 89.49 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 119.058 -0.496 . . . . 0.0 112.181 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -52.15 -39.22 59.67 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.129 0.877 . . . . 0.0 112.868 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -83.21 -31.68 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.215 0.916 . . . . 0.0 111.812 178.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.33 -27.99 62.78 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.387 1.075 . . . . 0.0 112.939 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.79 -31.4 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.25 2.22 . . . . 0.0 114.04 -171.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -115.59 6.26 14.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.953 1.301 . . . . 0.0 113.618 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -114.75 5.05 15.16 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.6 1.16 . . . . 0.0 113.317 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 49.0 t30 57.42 42.76 24.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.446 1.498 . . . . 0.0 113.472 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.2 mt -116.09 -178.04 3.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.16 1.784 . . . . 0.0 111.033 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -131.39 167.81 18.65 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.446 1.498 . . . . 0.0 109.881 168.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.21 -41.94 50.6 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.559 1.072 . . . . 0.0 112.062 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.83 92.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.243 0.617 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 -58.34 -47.99 81.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.724 0.81 . . . . 0.0 111.314 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.63 -45.06 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 122.749 0.42 . . . . 0.0 110.965 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -57.98 -46.46 85.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.68 1.192 . . . . 0.0 111.312 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -62.27 -44.52 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.869 1.268 . . . . 0.0 111.712 175.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -65.74 -44.92 84.48 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.23 -33.04 72.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 111.986 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -67.08 -44.92 78.83 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.951 -1.093 . . . . 0.0 111.241 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 123.237 0.615 . . . . 0.0 111.777 171.402 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -103.02 160.16 14.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.106 1.362 . . . . 0.0 111.178 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.2 m -61.01 -11.53 8.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -95.35 -41.58 8.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.228 1.411 . . . . 0.0 112.48 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.25 -41.49 96.99 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.238 -0.914 . . . . 0.0 111.747 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.66 -30.49 63.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.068 1.347 . . . . 0.0 113.173 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -70.61 -42.0 71.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.471 0.709 . . . . 0.0 111.417 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -70.83 -34.14 71.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.235 0.614 . . . . 0.0 111.74 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.97 -51.42 61.83 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.298 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.18 -20.32 60.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.779 1.399 . . . . 0.0 114.779 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -46.85 29.35 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.7 0.682 . . . . 0.0 112.132 170.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -70.85 -26.72 63.39 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.119 -0.988 . . . . 0.0 112.292 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.56 -28.77 60.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.461 1.504 . . . . 0.0 112.768 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.6 -38.3 70.88 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.357 -0.839 . . . . 0.0 113.063 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -88.69 -23.39 23.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.679 1.192 . . . . 0.0 113.743 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -138.95 101.02 4.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.143 1.377 . . . . 0.0 109.919 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -80.23 -10.93 59.77 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -150.54 65.71 7.23 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.23 1.412 . . . . 0.0 111.968 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -66.49 156.94 63.03 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.017 2.478 . . . . 0.0 112.443 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -118.02 176.65 5.11 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.259 2.224 . . . . 0.0 110.539 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.4 -31.56 9.83 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.718 -1.239 . . . . 0.0 114.042 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.8 m -80.9 -43.58 19.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.459 0.703 . . . . 0.0 112.13 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.16 -35.52 41.83 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.928 0.891 . . . . 0.0 112.973 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -56.19 -47.47 78.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.439 1.096 . . . . 0.0 111.612 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -41.27 94.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.041 -0.412 . . . . 0.0 111.708 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.33 -32.17 64.42 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.33 -32.52 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 120.002 1.274 . . . . 0.0 111.979 172.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.93 65.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.468 1.107 . . . . 0.0 112.879 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.42 -34.05 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 127.824 2.45 . . . . 0.0 114.041 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -114.08 6.15 16.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.727 1.211 . . . . 0.0 113.412 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.3 p -114.45 4.57 15.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.748 1.219 . . . . 0.0 113.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.13 42.56 22.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.495 1.518 . . . . 0.0 113.078 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -116.77 -177.91 3.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.31 1.844 . . . . 0.0 111.252 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.5 t -130.94 167.2 19.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.343 1.457 . . . . 0.0 109.562 168.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.12 -42.04 49.81 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.115 0.871 . . . . 0.0 111.961 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.51 91.43 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.1 0.56 . . . . 0.0 112.027 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -61.02 -46.95 88.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.995 0.918 . . . . 0.0 110.817 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.91 -44.75 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.021 0.373 . . . . 0.0 111.274 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -58.55 -46.37 87.02 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.764 1.226 . . . . 0.0 111.327 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.678 1.191 . . . . 0.0 111.647 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -64.07 -49.08 73.69 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.48 0.582 . . . . 0.0 111.827 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.1 -32.08 73.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.243 0.617 . . . . 0.0 112.108 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -66.75 -39.48 87.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.022 0.929 . . . . 0.0 111.99 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 CA--C 1.539 0.53 0 O-C-N 122.006 -0.434 . . . . 0.0 111.986 170.509 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 N--CA 1.469 0.501 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -104.4 160.3 15.02 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.052 1.341 . . . . 0.0 111.135 170.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.7 m -61.03 -11.81 9.56 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -95.36 -41.39 9.03 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.23 1.412 . . . . 0.0 112.482 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.79 -41.49 95.69 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.288 -0.882 . . . . 0.0 111.613 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.96 -30.64 64.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.988 1.315 . . . . 0.0 113.188 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -70.76 -41.31 71.92 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.445 0.698 . . . . 0.0 111.39 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.85 -32.52 67.58 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.19 0.596 . . . . 0.0 111.919 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.3 mt -65.69 -49.81 67.17 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 172.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.45 -16.82 60.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.98 -47.3 21.17 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.805 0.842 . . . . 0.0 112.176 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.4 t -70.12 -25.18 63.37 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.973 -1.08 . . . . 0.0 112.365 177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.89 -28.21 55.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.738 1.615 . . . . 0.0 112.362 169.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -72.09 -37.73 69.51 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -86.33 -26.77 24.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.864 0.866 . . . . 0.0 113.131 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -142.33 103.96 4.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.012 1.325 . . . . 0.0 110.225 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -81.09 -11.47 59.49 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -151.05 66.71 7.38 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.134 1.374 . . . . 0.0 111.99 -172.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -66.93 156.34 66.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.127 2.551 . . . . 0.0 112.737 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -117.42 177.27 4.8 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.205 2.202 . . . . 0.0 110.83 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.2 ptm -50.15 -28.99 8.25 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.628 -1.295 . . . . 0.0 114.111 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 31.8 p -80.74 -50.4 9.92 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.113 1.365 . . . . 0.0 112.702 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.38 -33.85 61.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.226 1.01 . . . . 0.0 113.147 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -58.36 -47.17 84.68 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.243 1.017 . . . . 0.0 111.397 169.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.05 -41.99 99.62 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.913 -0.492 . . . . 0.0 111.323 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.58 -36.05 61.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.77 -31.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.636 1.107 . . . . 0.0 111.969 176.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.52 63.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.318 1.047 . . . . 0.0 112.668 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.32 -31.7 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 127.294 2.238 . . . . 0.0 114.144 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -115.97 6.19 14.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.831 1.252 . . . . 0.0 113.479 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 76.5 p -114.83 5.23 15.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.717 1.207 . . . . 0.0 113.238 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.88 42.91 22.36 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.595 1.558 . . . . 0.0 113.708 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -117.19 -178.53 3.47 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.096 1.758 . . . . 0.0 111.463 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.0 t -130.7 164.7 24.48 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.446 1.498 . . . . 0.0 109.618 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -31.18 67.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.875 -1.141 . . . . 0.0 113.104 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.54 85.11 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.479 1.112 . . . . 0.0 112.441 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -62.29 -44.79 95.71 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.328 -0.858 . . . . 0.0 110.421 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.39 -44.39 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.526 0.33 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -55.76 -48.24 75.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.949 1.3 . . . . 0.0 111.372 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.749 1.22 . . . . 0.0 111.531 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.9 -47.44 77.77 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.058 0.845 . . . . 0.0 112.195 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.65 -24.09 64.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.567 0.747 . . . . 0.0 112.794 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -74.45 -37.24 63.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.472 1.109 . . . . 0.0 111.991 169.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 . . . . . 0 CA--C 1.54 0.574 0 O-C-N 121.541 -0.724 . . . . 0.0 112.38 171.448 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -96.84 158.09 15.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.117 0.967 . . . . 0.0 111.368 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -61.92 -8.67 5.4 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -97.96 -41.59 7.92 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.352 1.461 . . . . 0.0 112.399 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.73 -42.66 93.63 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.154 0.888 . . . . 0.0 111.523 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.01 -30.67 64.38 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.026 1.33 . . . . 0.0 113.216 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -71.1 -41.4 70.65 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.373 0.669 . . . . 0.0 111.314 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -71.3 -33.18 69.47 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.154 0.582 . . . . 0.0 111.861 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.74 -50.13 65.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.322 1.049 . . . . 0.0 111.503 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -74.72 -18.44 60.5 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -47.1 27.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.825 0.85 . . . . 0.0 112.024 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -70.11 -25.38 63.47 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.9 -1.125 . . . . 0.0 112.482 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.95 -27.24 60.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.498 1.519 . . . . 0.0 112.595 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -72.95 -38.73 66.65 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.459 -0.776 . . . . 0.0 113.0 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -84.38 -27.26 27.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.695 0.798 . . . . 0.0 113.015 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -141.57 103.15 4.33 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.004 1.322 . . . . 0.0 110.125 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -80.87 -12.08 59.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -150.95 66.81 7.5 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 125.264 1.426 . . . . 0.0 111.79 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.51 151.95 81.87 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.213 2.609 . . . . 0.0 113.417 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -110.93 177.42 4.67 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 126.872 2.069 . . . . 0.0 111.106 -170.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.08 -26.04 14.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.514 -1.366 . . . . 0.0 114.166 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -86.04 -46.61 10.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.11 0.964 . . . . 0.0 111.81 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -34.49 54.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.65 1.114 . . . . 0.0 111.758 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.57 0.348 . . . . 0.0 111.654 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.98 -38.62 65.23 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.93 0.892 . . . . 0.0 112.881 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.69 -32.19 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 119.088 0.858 . . . . 0.0 111.688 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.76 67.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.216 1.006 . . . . 0.0 112.658 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.23 -30.82 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.205 2.202 . . . . 0.0 114.135 -171.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -116.71 7.11 13.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.007 1.323 . . . . 0.0 113.512 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -114.84 6.0 15.34 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.616 1.166 . . . . 0.0 113.371 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.7 t30 58.25 40.71 24.42 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.448 1.499 . . . . 0.0 113.629 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.29 179.8 3.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.975 1.71 . . . . 0.0 111.3 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.21 160.88 28.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.817 1.247 . . . . 0.0 109.278 167.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.84 -28.48 67.53 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.846 -1.159 . . . . 0.0 113.397 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.82 89.52 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.735 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -60.65 -44.16 96.75 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.6 -45.19 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.99 0.516 . . . . 0.0 109.996 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -59.95 -44.16 94.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.086 0.955 . . . . 0.0 112.244 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.55 -45.42 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.803 1.241 . . . . 0.0 111.586 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.57 -47.13 82.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.278 0.49 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -65.86 -32.21 73.59 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.451 0.7 . . . . 0.0 112.599 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -66.79 -37.84 85.33 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.966 0.906 . . . . 0.0 111.782 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 169.671 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 120.627 0.251 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -94.35 158.0 15.77 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.825 0.85 . . . . 0.0 111.681 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.5 m -63.6 -7.17 6.54 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -91.25 -44.54 9.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.219 1.007 . . . . 0.0 111.174 169.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.98 -45.39 92.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.861 0.864 . . . . 0.0 111.516 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.26 -32.29 66.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.948 1.299 . . . . 0.0 112.876 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -75.29 -37.39 60.9 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.84 -33.65 72.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.518 0.599 . . . . 0.0 111.8 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.9 -51.3 57.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.413 1.085 . . . . 0.0 111.687 174.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.17 -23.78 63.04 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.5 -47.72 25.77 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.952 0.796 . . . . 0.0 112.189 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.11 -27.69 65.81 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.184 -0.947 . . . . 0.0 112.088 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -57.11 -28.48 62.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.691 1.596 . . . . 0.0 112.873 170.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -71.61 -38.8 70.78 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.009 0.822 . . . . 0.0 113.035 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -89.74 -23.46 21.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.368 1.067 . . . . 0.0 113.733 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -138.75 101.78 4.41 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.078 1.351 . . . . 0.0 109.57 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -79.98 -12.37 59.72 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -150.24 65.78 7.48 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 125.13 1.372 . . . . 0.0 112.072 -173.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -65.68 152.43 81.71 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.069 2.513 . . . . 0.0 112.683 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -113.53 178.19 4.37 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.101 2.16 . . . . 0.0 110.794 -171.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.7 ptm -52.19 -26.55 11.84 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.562 -1.336 . . . . 0.0 114.315 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -85.27 -47.39 10.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.818 0.847 . . . . 0.0 111.814 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -34.9 59.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.181 -0.949 . . . . 0.0 113.427 -177.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -59.6 -45.6 91.41 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.367 0.985 . . . . 0.0 112.006 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.74 -44.05 97.15 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.102 0.41 . . . . 0.0 111.188 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.83 -31.28 66.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.66 -32.2 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.963 1.256 . . . . 0.0 112.069 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.02 67.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 112.933 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.83 -32.2 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.764 2.426 . . . . 0.0 113.934 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -115.6 7.48 14.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.94 1.296 . . . . 0.0 113.461 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.55 6.67 14.69 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.682 1.193 . . . . 0.0 113.236 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.24 39.63 25.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.312 1.445 . . . . 0.0 113.077 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.26 -179.73 3.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.132 1.773 . . . . 0.0 111.342 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -127.05 162.03 26.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.25 1.42 . . . . 0.0 109.294 167.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -28.21 68.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.619 -1.301 . . . . 0.0 113.438 -172.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.16 87.71 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.318 1.047 . . . . 0.0 112.532 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -60.3 -44.88 95.02 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.317 -0.864 . . . . 0.0 111.046 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.27 -44.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.091 0.556 . . . . 0.0 110.28 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -57.43 -48.25 79.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.587 1.155 . . . . 0.0 111.537 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.84 -44.81 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.906 1.282 . . . . 0.0 111.613 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.41 -47.08 80.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.391 0.541 . . . . 0.0 111.603 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.92 -32.68 74.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.245 0.618 . . . . 0.0 112.309 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -66.19 -41.54 90.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.014 0.926 . . . . 0.0 111.537 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 . . . . . 0 CA--C 1.541 0.634 0 O-C-N 122.12 -0.363 . . . . 0.0 111.951 170.57 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -97.19 157.93 15.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.913 0.885 . . . . 0.0 111.352 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -62.06 -8.25 5.11 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -98.22 -41.35 7.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.411 1.485 . . . . 0.0 112.489 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.29 -43.06 96.59 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.228 -0.92 . . . . 0.0 111.509 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.0 mt -55.96 -32.23 63.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.005 1.322 . . . . 0.0 113.2 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -68.95 -41.17 78.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.458 0.703 . . . . 0.0 111.563 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.17 -31.29 64.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.172 0.589 . . . . 0.0 111.804 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.64 -49.97 60.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.365 1.066 . . . . 0.0 111.422 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.96 -24.8 63.4 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.29 -47.0 29.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.547 0.739 . . . . 0.0 112.323 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -70.57 -24.91 62.86 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.032 -1.042 . . . . 0.0 112.386 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -58.94 -24.83 62.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.079 1.352 . . . . 0.0 112.704 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.07 -39.1 63.7 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.252 -0.905 . . . . 0.0 113.001 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -83.6 -27.35 29.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.682 0.793 . . . . 0.0 112.886 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -139.05 105.62 5.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.827 1.251 . . . . 0.0 110.464 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -84.95 -8.81 58.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.19 65.88 6.31 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.035 1.334 . . . . 0.0 111.872 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -67.52 151.34 79.91 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.92 2.413 . . . . 0.0 113.137 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.99 177.67 4.57 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.875 2.07 . . . . 0.0 110.879 -170.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.15 -25.85 14.86 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.596 -1.315 . . . . 0.0 114.136 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -86.09 -46.31 10.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.146 0.978 . . . . 0.0 111.811 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -34.34 50.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.46 -45.39 91.75 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.622 1.101 . . . . 0.0 111.748 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -61.21 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 122.08 -0.387 . . . . 0.0 111.732 171.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.03 -38.95 65.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.864 0.866 . . . . 0.0 112.833 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.98 -32.69 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.149 0.886 . . . . 0.0 111.579 177.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.85 67.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.438 1.095 . . . . 0.0 112.628 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.13 -30.41 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.406 2.282 . . . . 0.0 114.144 -171.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -117.19 7.59 13.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.906 1.282 . . . . 0.0 113.449 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -115.37 6.33 14.82 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.58 40.44 23.65 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.33 1.452 . . . . 0.0 113.023 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.29 -179.61 3.76 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.099 1.76 . . . . 0.0 111.351 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -126.65 161.7 27.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.173 1.389 . . . . 0.0 109.315 167.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.2 -28.41 67.96 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.642 -1.286 . . . . 0.0 113.587 -172.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.06 91.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.593 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -59.95 -44.45 94.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.837 0.855 . . . . 0.0 111.195 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.1 -45.14 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.198 0.599 . . . . 0.0 109.914 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -59.9 -43.62 94.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.961 0.904 . . . . 0.0 112.29 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.07 -44.94 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.805 1.242 . . . . 0.0 111.598 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -64.33 -47.08 80.76 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.889 0.768 . . . . 0.0 111.812 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.09 -28.07 68.55 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.991 0.917 . . . . 0.0 112.865 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -70.42 -44.38 68.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.259 1.023 . . . . 0.0 111.635 170.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 . . . . . 0 CA--C 1.541 0.604 0 O-C-N 122.018 -0.427 . . . . 0.0 111.932 173.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 p -100.05 158.81 15.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.923 1.289 . . . . 0.0 111.685 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.3 m -63.11 -6.54 4.27 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -92.01 -44.04 9.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.188 0.995 . . . . 0.0 111.255 169.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.0 -43.96 94.09 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.344 -0.847 . . . . 0.0 111.599 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.23 -31.82 67.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.022 1.329 . . . . 0.0 112.845 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -74.66 -38.31 62.47 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.329 0.652 . . . . 0.0 112.255 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -69.99 -34.76 73.77 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.778 0.717 . . . . 0.0 111.745 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.9 mt -65.5 -51.74 57.78 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.349 1.06 . . . . 0.0 111.456 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.17 -18.36 60.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.7 -47.34 19.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.565 0.746 . . . . 0.0 112.034 169.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.69 -26.92 64.6 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.012 -1.055 . . . . 0.0 112.305 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -55.36 -29.27 58.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.938 1.695 . . . . 0.0 112.831 169.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.93 -36.69 67.27 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -89.42 -23.91 22.03 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.666 1.186 . . . . 0.0 113.693 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -138.74 102.14 4.5 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.144 1.378 . . . . 0.0 109.701 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -81.12 -10.59 59.63 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -150.88 65.77 7.03 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.069 1.347 . . . . 0.0 112.172 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -67.07 155.86 68.93 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.961 2.44 . . . . 0.0 112.599 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -117.76 176.94 4.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.16 2.184 . . . . 0.0 110.494 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.11 -29.88 9.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.696 -1.252 . . . . 0.0 114.019 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -82.82 -43.13 17.03 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.415 0.686 . . . . 0.0 112.499 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.07 -35.02 43.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.922 0.889 . . . . 0.0 112.865 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -57.38 -46.92 82.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.367 1.067 . . . . 0.0 111.382 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.15 -42.7 99.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.215 0.461 . . . . 0.0 111.14 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.97 -30.66 64.29 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -32.94 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 120.079 1.309 . . . . 0.0 112.115 172.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.07 65.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 112.705 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.54 -32.6 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 127.736 2.415 . . . . 0.0 113.979 -173.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.68 7.51 14.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.857 1.263 . . . . 0.0 113.338 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -115.88 6.69 14.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.889 1.276 . . . . 0.0 113.157 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.38 40.22 24.51 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.59 1.556 . . . . 0.0 113.902 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -118.11 -177.22 3.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.147 1.779 . . . . 0.0 111.852 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.8 t -132.98 165.52 24.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.781 1.632 . . . . 0.0 109.707 168.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -31.21 68.13 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.023 -1.048 . . . . 0.0 113.268 -171.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.88 -37.54 86.41 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.256 1.022 . . . . 0.0 112.127 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -63.59 -44.09 95.06 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.821 0.848 . . . . 0.0 110.979 173.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.53 -44.72 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 122.762 0.425 . . . . 0.0 110.65 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.69 -49.69 72.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.951 1.301 . . . . 0.0 111.344 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.697 1.199 . . . . 0.0 111.533 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.76 -47.03 79.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.515 0.598 . . . . 0.0 111.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -68.42 -24.14 64.71 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.017 0.927 . . . . 0.0 113.117 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -75.74 -36.12 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.651 1.18 . . . . 0.0 111.893 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 . . . . . 0 CA--C 1.543 0.682 0 O-C-N 121.898 -0.501 . . . . 0.0 111.963 169.561 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 120.712 0.291 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p -98.94 159.34 15.03 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.398 1.079 . . . . 0.0 111.256 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.9 m -61.29 -10.16 6.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -96.77 -41.51 8.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.262 1.425 . . . . 0.0 112.484 172.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.52 -41.72 94.96 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.25 -0.906 . . . . 0.0 111.671 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.7 mt -57.08 -30.74 64.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.113 1.365 . . . . 0.0 113.199 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -71.09 -40.99 71.2 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.371 0.669 . . . . 0.0 111.339 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -71.83 -32.36 67.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.252 0.621 . . . . 0.0 111.945 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.66 -50.38 65.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.396 1.078 . . . . 0.0 111.521 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.21 -17.19 60.93 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.15 -47.05 25.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.551 0.74 . . . . 0.0 112.042 169.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.5 t -70.25 -25.18 63.25 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.028 -1.045 . . . . 0.0 112.357 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.98 -32.98 62.09 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.131 1.372 . . . . 0.0 111.881 169.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -68.32 -36.9 79.98 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.46 -0.775 . . . . 0.0 113.044 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -86.32 -26.97 24.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.985 0.914 . . . . 0.0 113.095 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -143.14 102.32 3.97 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.835 1.254 . . . . 0.0 110.865 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -81.02 -8.85 59.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.692 0.797 . . . . 0.0 113.056 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -151.79 65.39 6.32 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.198 1.399 . . . . 0.0 111.968 -174.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -66.66 152.84 79.84 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.099 2.532 . . . . 0.0 113.016 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -112.96 177.27 4.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.894 2.078 . . . . 0.0 110.764 -171.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.1 ptm -51.66 -27.97 13.15 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.665 -1.272 . . . . 0.0 114.125 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 32.6 m -84.3 -44.0 14.26 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.77 0.828 . . . . 0.0 112.164 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -34.13 40.38 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.029 0.932 . . . . 0.0 113.151 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -59.86 -45.29 92.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.078 -1.014 . . . . 0.0 111.964 170.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.66 -43.54 98.66 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.047 -0.408 . . . . 0.0 111.564 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.9 -37.3 63.63 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.668 0.787 . . . . 0.0 112.957 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.05 -32.21 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.213 0.915 . . . . 0.0 111.934 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.04 -29.3 67.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.145 0.978 . . . . 0.0 112.622 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.39 -30.85 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 127.31 2.244 . . . . 0.0 114.183 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -116.66 6.77 13.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.871 1.268 . . . . 0.0 113.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -114.4 5.84 15.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.617 1.167 . . . . 0.0 113.366 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 57.81 41.19 25.31 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.433 1.493 . . . . 0.0 113.525 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -116.56 -179.87 3.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.034 1.734 . . . . 0.0 111.285 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -127.46 161.35 28.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.144 1.378 . . . . 0.0 109.027 167.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -28.48 67.27 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.058 -1.026 . . . . 0.0 113.302 -171.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.82 -38.07 85.74 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.558 1.143 . . . . 0.0 112.679 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.46 -45.76 92.55 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.277 -0.889 . . . . 0.0 110.211 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.75 -43.47 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.229 0.611 . . . . 0.0 110.747 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -58.0 -46.78 84.7 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.038 1.335 . . . . 0.0 111.615 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.17 -44.84 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.733 1.213 . . . . 0.0 111.375 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.22 -48.42 75.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.369 0.531 . . . . 0.0 111.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.66 -21.96 64.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -74.21 -42.53 59.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 111.46 169.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.649 0.261 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -94.69 157.53 15.92 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.783 0.833 . . . . 0.0 111.695 175.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -63.19 -6.82 4.75 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -91.5 -44.44 9.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 0.0 111.002 169.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -63.22 -45.82 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.47 -0.769 . . . . 0.0 111.297 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.83 -33.06 66.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.938 1.295 . . . . 0.0 112.932 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.38 -38.25 60.09 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.261 0.624 . . . . 0.0 112.178 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.76 -34.87 76.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.779 0.718 . . . . 0.0 111.76 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.0 -52.24 51.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.279 1.031 . . . . 0.0 111.396 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.07 -20.13 60.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.1 -44.18 26.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.421 0.688 . . . . 0.0 112.16 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -26.2 62.53 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.916 -1.115 . . . . 0.0 112.423 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.51 -26.59 61.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.502 1.521 . . . . 0.0 112.369 168.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.93 -37.7 61.97 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 113.193 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -83.93 -27.65 28.41 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.908 0.883 . . . . 0.0 112.886 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -138.19 101.2 4.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.1 1.36 . . . . 0.0 109.734 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.23 -11.82 59.69 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -150.19 66.57 7.92 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.114 1.366 . . . . 0.0 111.914 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -67.03 157.9 59.44 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.049 2.499 . . . . 0.0 112.665 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -120.55 -179.42 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.066 2.146 . . . . 0.0 110.419 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -51.12 -31.61 20.0 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.488 -1.383 . . . . 0.0 113.591 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 26.7 p -77.0 -49.45 15.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.885 1.274 . . . . 0.0 112.224 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -34.71 50.69 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.121 0.968 . . . . 0.0 113.089 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtm105 -60.46 -43.54 96.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.554 1.07 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.22 -44.45 96.54 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.326 0.512 . . . . 0.0 111.433 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.52 -32.46 67.07 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.46 -32.19 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.87 1.213 . . . . 0.0 111.833 173.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -29.93 67.3 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.382 1.073 . . . . 0.0 112.977 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.79 -31.43 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.856 2.463 . . . . 0.0 114.015 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -116.36 7.32 13.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.97 1.308 . . . . 0.0 113.522 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 65.7 p -115.25 6.67 15.04 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.67 1.188 . . . . 0.0 113.312 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.68 39.73 24.11 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.213 1.405 . . . . 0.0 113.052 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -116.95 -177.23 3.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.28 1.832 . . . . 0.0 111.214 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -130.79 163.63 26.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.538 1.535 . . . . 0.0 109.628 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.53 -25.83 64.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.96 -37.69 69.88 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.669 1.188 . . . . 0.0 112.386 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -59.22 -44.5 92.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.713 0.805 . . . . 0.0 111.004 172.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.87 -44.04 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.306 0.642 . . . . 0.0 110.359 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -60.33 -45.23 94.18 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.287 0.635 . . . . 0.0 112.175 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -42.57 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.892 1.277 . . . . 0.0 111.501 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -66.87 -46.91 73.5 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.113 0.87 . . . . 0.0 112.133 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -64.87 -30.4 71.4 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.673 -0.642 . . . . 0.0 111.384 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -70.22 -39.44 75.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.881 0.872 . . . . 0.0 112.494 171.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 . . . . . 0 CA--C 1.541 0.609 0 O-C-N 121.526 -0.734 . . . . 0.0 111.84 170.875 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -102.64 159.65 15.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.855 1.262 . . . . 0.0 111.737 172.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.3 m -62.19 -10.63 11.14 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -91.24 -42.23 10.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.347 1.059 . . . . 0.0 111.923 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -63.53 -42.95 98.4 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.33 -0.856 . . . . 0.0 111.683 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 mt -57.75 -32.69 67.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.95 1.3 . . . . 0.0 112.783 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.2 -38.4 69.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.356 0.662 . . . . 0.0 112.163 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -71.6 -33.27 68.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.649 -0.657 . . . . 0.0 112.008 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.76 -50.72 61.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 111.472 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.46 -25.16 63.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -47.74 31.25 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.912 0.778 . . . . 0.0 111.927 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -69.92 -26.48 64.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.253 -0.904 . . . . 0.0 112.458 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.99 -28.59 66.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.452 1.501 . . . . 0.0 112.783 170.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -72.12 -38.71 69.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.315 -0.866 . . . . 0.0 112.955 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.51 -25.25 25.2 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.482 1.113 . . . . 0.0 113.271 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -136.54 105.1 5.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.949 1.3 . . . . 0.0 110.46 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -86.24 -1.72 57.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -151.2 57.08 2.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.473 1.509 . . . . 0.0 113.416 -170.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -68.87 153.83 72.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.201 1.934 . . . . 0.0 112.483 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -120.49 178.11 4.79 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.441 2.296 . . . . 0.0 110.262 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.17 -29.24 8.87 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.782 -1.199 . . . . 0.0 114.022 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.6 m -83.19 -44.64 14.81 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.627 0.771 . . . . 0.0 112.366 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.79 -35.51 44.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.15 0.98 . . . . 0.0 112.935 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.89 -46.51 81.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.184 0.994 . . . . 0.0 111.329 169.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -62.6 -42.35 99.52 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.924 -0.485 . . . . 0.0 111.32 174.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.95 -30.29 63.92 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.53 -31.98 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.984 1.266 . . . . 0.0 112.144 172.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.64 63.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.423 1.089 . . . . 0.0 112.881 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.56 -33.47 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.741 2.416 . . . . 0.0 113.929 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -114.03 6.67 16.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.8 1.24 . . . . 0.0 113.371 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.7 p -115.73 6.08 14.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.87 1.268 . . . . 0.0 113.185 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 58.85 38.3 24.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.453 1.501 . . . . 0.0 113.78 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.0 -178.28 3.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.875 1.67 . . . . 0.0 111.567 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -132.22 164.88 25.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.618 1.567 . . . . 0.0 109.568 168.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -30.79 67.4 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.988 -1.07 . . . . 0.0 113.263 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.55 87.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.422 1.089 . . . . 0.0 112.275 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -61.72 -45.32 94.47 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.375 -0.828 . . . . 0.0 110.425 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -64.83 -45.57 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.888 0.475 . . . . 0.0 110.76 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -54.82 -49.06 71.94 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.004 1.321 . . . . 0.0 111.301 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.804 1.241 . . . . 0.0 111.607 177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.47 -45.54 86.91 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.551 0.614 . . . . 0.0 112.35 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -68.99 -34.4 75.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.543 1.137 . . . . 0.0 111.976 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttpt -65.84 -43.85 87.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.0 0.92 . . . . 0.0 111.635 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 122.724 0.409 . . . . 0.0 111.495 169.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 CA--C 1.537 0.447 0 CA-C-O 121.23 0.538 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -91.49 160.12 15.59 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.933 0.893 . . . . 0.0 110.929 174.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -57.64 -19.42 26.34 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -95.76 -39.18 9.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.298 1.039 . . . . 0.0 112.474 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -56.79 -42.82 80.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.439 1.018 . . . . 0.0 110.926 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.32 -33.21 65.39 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.486 1.115 . . . . 0.0 113.235 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -70.31 -41.97 72.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.489 0.716 . . . . 0.0 111.332 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.15 -35.03 75.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.696 0.399 . . . . 0.0 111.186 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.9 mt -66.81 -51.18 58.72 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.719 1.208 . . . . 0.0 111.568 175.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.76 -26.76 65.39 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -47.04 33.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.784 0.72 . . . . 0.0 111.925 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -70.27 -26.18 63.7 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.286 -0.884 . . . . 0.0 112.39 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.29 -25.71 65.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.27 1.428 . . . . 0.0 112.857 171.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -74.66 -38.49 62.44 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.141 -0.974 . . . . 0.0 113.129 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.55 -25.43 25.03 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.372 1.069 . . . . 0.0 113.26 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -135.81 105.02 5.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.072 1.349 . . . . 0.0 109.745 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -84.42 -9.0 58.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -150.04 63.46 6.25 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.925 1.29 . . . . 0.0 112.423 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -67.69 151.8 78.64 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.671 2.248 . . . . 0.0 112.881 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.77 177.74 4.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.386 2.274 . . . . 0.0 110.561 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.22 -29.63 5.94 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -85.17 -43.89 13.42 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 0.0 112.277 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.44 -35.19 40.82 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.935 0.894 . . . . 0.0 113.112 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -56.12 -48.23 76.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.362 0.983 . . . . 0.0 111.058 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.89 -41.53 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.002 -0.436 . . . . 0.0 111.579 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.69 -30.93 63.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.43 -32.63 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.829 1.195 . . . . 0.0 111.861 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.61 -28.08 62.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.655 1.182 . . . . 0.0 113.059 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.55 -34.83 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 127.862 2.465 . . . . 0.0 113.971 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -112.75 5.95 17.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.77 1.228 . . . . 0.0 113.296 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -115.18 5.72 14.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.891 1.276 . . . . 0.0 113.151 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 58.45 41.98 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.657 1.583 . . . . 0.0 113.821 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.4 mt -118.42 -177.47 3.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.411 1.884 . . . . 0.0 111.568 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -132.69 165.31 24.78 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.862 1.665 . . . . 0.0 109.648 168.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.92 -30.11 67.58 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.599 -1.313 . . . . 0.0 113.742 -172.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.09 91.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.011 0.924 . . . . 0.0 111.981 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -60.54 -45.3 94.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.798 0.839 . . . . 0.0 111.23 172.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.51 -46.58 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.072 0.549 . . . . 0.0 110.272 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 ttt-85 -61.38 -42.1 98.18 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.944 0.897 . . . . 0.0 112.416 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.834 1.253 . . . . 0.0 111.447 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -63.89 -46.39 85.09 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.45 -0.781 . . . . 0.0 111.896 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -66.04 -31.14 71.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.993 0.917 . . . . 0.0 112.148 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.52 -47.5 78.62 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.348 1.059 . . . . 0.0 111.318 169.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 . . . . . 0 CA--C 1.539 0.549 0 O-C-N 121.802 -0.561 . . . . 0.0 111.846 179.667 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -96.54 157.87 15.7 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.305 -0.872 . . . . 0.0 110.579 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -63.31 -6.86 5.12 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -99.45 -41.02 7.58 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.495 1.518 . . . . 0.0 112.426 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -58.73 -44.55 90.48 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.335 0.97 . . . . 0.0 111.172 178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 mt -54.65 -33.32 60.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.876 1.27 . . . . 0.0 113.438 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -70.13 -41.28 74.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.482 0.713 . . . . 0.0 111.376 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -71.37 -32.24 68.26 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.994 0.518 . . . . 0.0 111.599 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.99 -51.02 60.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.184 0.994 . . . . 0.0 111.539 174.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.92 -24.9 63.44 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -45.56 31.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.748 0.703 . . . . 0.0 112.025 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -24.75 62.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.05 -1.031 . . . . 0.0 112.232 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -59.73 -23.38 63.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.598 1.559 . . . . 0.0 112.681 169.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -77.12 -38.72 51.52 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.113 -0.992 . . . . 0.0 113.125 176.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.42 -25.57 33.56 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.621 1.168 . . . . 0.0 112.873 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -140.53 109.38 6.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.81 1.244 . . . . 0.0 110.553 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -92.08 -0.13 57.46 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.987 0.915 . . . . 0.0 112.788 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -151.56 51.25 0.77 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.704 1.602 . . . . 0.0 113.279 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -67.8 148.89 77.95 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.995 1.797 . . . . 0.0 112.834 -174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -115.06 179.48 3.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.512 2.325 . . . . 0.0 110.452 -172.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ptm -52.53 -26.21 12.5 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.548 -1.345 . . . . 0.0 114.225 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.1 t -85.8 -46.09 10.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.984 0.914 . . . . 0.0 111.988 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -32.88 46.46 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.161 -0.962 . . . . 0.0 113.595 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -60.03 -44.81 94.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.669 -1.27 . . . . 0.0 111.578 168.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.79 -42.2 98.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.01 -0.432 . . . . 0.0 111.811 171.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.1 -39.0 63.08 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.805 0.842 . . . . 0.0 112.894 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.04 -32.84 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.963 0.801 . . . . 0.0 111.439 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.87 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.376 1.07 . . . . 0.0 112.809 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.57 -30.2 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.258 2.223 . . . . 0.0 114.055 -171.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -117.06 6.85 12.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.976 1.31 . . . . 0.0 113.463 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.09 5.99 15.04 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.649 1.179 . . . . 0.0 113.322 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.04 41.35 24.3 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.294 1.438 . . . . 0.0 113.07 -176.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -116.61 179.34 4.03 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.987 1.715 . . . . 0.0 111.351 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.34 161.94 25.89 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.064 1.346 . . . . 0.0 109.441 167.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -28.33 67.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.705 -1.247 . . . . 0.0 113.334 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.53 86.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.426 1.09 . . . . 0.0 112.561 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -59.92 -44.67 94.18 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.271 0.941 . . . . 0.0 110.978 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.44 -44.35 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.196 0.598 . . . . 0.0 110.465 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -57.28 -48.02 79.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.476 1.111 . . . . 0.0 111.64 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.51 -44.98 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.865 1.266 . . . . 0.0 111.53 177.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -64.47 -47.34 79.34 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.388 0.54 . . . . 0.0 111.618 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -65.37 -33.0 74.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.418 0.687 . . . . 0.0 112.116 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -66.19 -45.14 81.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.22 0.608 . . . . 0.0 111.317 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 . . . . . 0 CA--C 1.539 0.532 0 C-N-CA 122.78 0.432 . . . . 0.0 111.832 172.616 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.3 p -98.41 159.14 15.14 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.962 0.905 . . . . 0.0 111.142 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.8 m -61.29 -11.15 8.59 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -96.34 -40.67 9.01 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.33 1.452 . . . . 0.0 112.509 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.27 -43.43 96.19 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.319 -0.863 . . . . 0.0 111.491 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.8 -32.87 60.8 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.282 176.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -68.52 -40.4 80.8 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.467 0.707 . . . . 0.0 111.536 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -74.68 -29.75 61.33 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.334 0.654 . . . . 0.0 112.047 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.76 -49.49 58.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.722 1.209 . . . . 0.0 111.133 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.55 -25.0 63.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.1 -46.98 39.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.904 0.775 . . . . 0.0 112.284 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -70.59 -26.2 63.41 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.948 -1.095 . . . . 0.0 112.569 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -58.18 -26.29 62.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.399 1.48 . . . . 0.0 112.392 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -73.26 -40.61 64.48 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.377 -0.827 . . . . 0.0 112.97 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -82.22 -27.81 32.31 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.634 0.774 . . . . 0.0 112.784 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -139.98 102.14 4.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.002 1.321 . . . . 0.0 110.128 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -79.52 -14.11 59.09 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -152.25 70.09 7.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 125.411 1.484 . . . . 0.0 111.827 -175.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.61 170.04 14.63 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.131 2.554 . . . . 0.0 113.202 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.6 171.32 11.75 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.274 2.23 . . . . 0.0 109.398 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 24.7 ptm -49.05 -37.04 19.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.395 1.452 . . . . 0.0 113.892 -172.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.3 m -70.81 -38.08 73.29 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.678 0.791 . . . . 0.0 112.614 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.66 -33.45 27.74 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.492 1.117 . . . . 0.0 112.766 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -62.24 -43.67 98.29 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.793 1.237 . . . . 0.0 111.74 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.41 -41.5 98.74 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.784 -0.572 . . . . 0.0 111.699 171.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -54.07 -36.72 63.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.472 0.709 . . . . 0.0 112.875 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.75 -31.44 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.257 0.935 . . . . 0.0 111.915 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -28.48 63.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.542 1.137 . . . . 0.0 112.915 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.16 -31.0 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 127.329 2.252 . . . . 0.0 114.147 -172.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p-90 -116.28 7.12 13.92 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.031 1.332 . . . . 0.0 113.513 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -115.45 6.45 14.75 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.725 1.21 . . . . 0.0 113.381 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 t30 58.09 40.72 24.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.438 1.495 . . . . 0.0 113.601 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.76 -178.71 3.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.995 1.718 . . . . 0.0 111.407 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -130.84 163.94 26.29 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.742 1.617 . . . . 0.0 109.212 168.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -30.88 66.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.961 -1.087 . . . . 0.0 113.162 -171.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.7 82.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.769 1.228 . . . . 0.0 112.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -62.07 -44.46 96.64 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.178 -0.951 . . . . 0.0 110.492 171.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -64.9 -41.82 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.368 0.667 . . . . 0.0 110.619 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -59.18 -46.23 88.96 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.332 . . . . 0.0 112.186 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.96 -44.85 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.238 1.015 . . . . 0.0 111.691 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -63.21 -49.43 74.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.63 0.65 . . . . 0.0 111.939 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.71 -32.16 72.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.901 -0.499 . . . . 0.0 111.87 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -66.7 -35.91 81.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.962 0.905 . . . . 0.0 111.974 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 . . . . . 0 CA--C 1.542 0.642 0 CA-C-N 118.23 0.468 . . . . 0.0 111.702 168.785 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -98.29 160.36 14.34 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.37 1.068 . . . . 0.0 110.901 170.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -57.08 -20.16 23.57 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -94.76 -38.94 10.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 112.649 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -57.55 -41.11 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.43 1.013 . . . . 0.0 111.11 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.34 -32.59 66.88 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.817 1.247 . . . . 0.0 113.283 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -69.88 -40.53 75.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.511 0.724 . . . . 0.0 111.203 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.78 -35.08 74.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.855 0.462 . . . . 0.0 111.335 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.42 -50.25 64.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.73 1.212 . . . . 0.0 111.382 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.37 -22.78 62.73 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.61 -45.56 29.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.587 0.755 . . . . 0.0 112.272 172.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -25.54 62.4 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.996 -1.065 . . . . 0.0 112.208 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.67 -28.0 63.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.687 1.595 . . . . 0.0 112.422 169.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.39 -36.65 71.48 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.315 -0.866 . . . . 0.0 113.019 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -84.01 -28.02 27.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 112.825 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -141.51 106.75 4.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.186 . . . . 0.0 111.043 -172.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -85.39 -7.05 59.15 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -152.72 64.44 5.36 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 124.876 1.27 . . . . 0.0 112.216 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -67.49 151.95 79.25 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.78 2.32 . . . . 0.0 112.795 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -114.01 178.07 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.121 2.168 . . . . 0.0 110.609 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.9 ptm -51.39 -27.92 11.3 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.75 -1.219 . . . . 0.0 114.026 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -85.07 -43.85 13.54 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.767 0.827 . . . . 0.0 112.208 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.7 -33.62 40.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.954 0.902 . . . . 0.0 113.205 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.3 mtm-85 -60.02 -45.41 92.9 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.094 -1.004 . . . . 0.0 111.972 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.48 -42.99 99.62 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.032 -0.417 . . . . 0.0 111.643 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.04 -34.34 63.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -32.81 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.173 0.897 . . . . 0.0 111.807 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.56 68.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.442 1.097 . . . . 0.0 112.72 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -60.94 -31.28 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 127.325 2.25 . . . . 0.0 114.198 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -115.88 6.12 14.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.901 1.281 . . . . 0.0 113.522 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -113.85 5.74 16.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.705 1.202 . . . . 0.0 113.497 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.2 t30 57.92 40.31 25.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.334 1.454 . . . . 0.0 113.521 -175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -115.66 179.25 4.03 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.855 1.662 . . . . 0.0 111.271 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -126.57 161.54 27.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.085 1.354 . . . . 0.0 108.951 167.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -28.2 66.95 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.045 -1.034 . . . . 0.0 113.319 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.2 85.27 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.625 1.17 . . . . 0.0 112.688 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -60.72 -45.4 94.38 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.187 -0.946 . . . . 0.0 110.312 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -65.26 -43.37 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.362 0.665 . . . . 0.0 110.676 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -57.6 -46.08 84.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.89 1.276 . . . . 0.0 111.435 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.07 -46.01 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.42 1.088 . . . . 0.0 111.446 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -63.67 -48.49 76.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.541 0.61 . . . . 0.0 111.773 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -69.68 -22.9 63.39 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -73.47 -41.99 62.46 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.259 0.936 . . . . 0.0 111.321 169.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.347 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -97.28 158.16 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.197 0.999 . . . . 0.0 111.392 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.5 m -61.83 -8.4 4.84 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.45 -41.26 7.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.331 1.452 . . . . 0.0 112.422 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.21 0.913 . . . . 0.0 111.6 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.35 -32.08 64.36 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.01 1.324 . . . . 0.0 112.993 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -69.58 -41.11 76.23 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.614 0.766 . . . . 0.0 111.436 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.34 -32.6 66.64 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.241 0.616 . . . . 0.0 111.684 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.24 -52.06 51.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.32 1.048 . . . . 0.0 111.249 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.87 -22.82 62.25 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 -44.18 30.74 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.123 0.874 . . . . 0.0 112.134 172.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -24.85 60.01 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.127 -0.983 . . . . 0.0 112.513 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -54.45 -32.73 58.19 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.379 1.472 . . . . 0.0 111.565 168.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.38 -37.84 80.79 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -85.62 -27.3 25.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.212 1.005 . . . . 0.0 113.196 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -143.34 100.75 3.68 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.287 1.435 . . . . 0.0 110.023 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.02 -13.38 59.82 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.428 0.691 . . . . 0.0 112.72 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -148.69 66.58 9.04 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.09 1.356 . . . . 0.0 111.957 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -65.59 156.38 64.01 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.223 2.616 . . . . 0.0 112.577 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -115.22 175.63 5.42 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.15 2.18 . . . . 0.0 110.457 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.37 -29.96 7.01 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -82.96 -43.45 16.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.578 0.751 . . . . 0.0 112.572 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -34.54 52.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.958 0.903 . . . . 0.0 112.718 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.98 -47.01 81.78 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.827 1.251 . . . . 0.0 111.069 169.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.02 -41.12 97.54 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 122.115 -0.366 . . . . 0.0 111.222 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -30.48 63.6 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.81 -32.59 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.965 1.257 . . . . 0.0 112.01 172.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.4 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.513 1.125 . . . . 0.0 112.927 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.54 -32.94 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.656 2.382 . . . . 0.0 113.988 -173.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.16 6.75 15.17 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.819 1.248 . . . . 0.0 113.377 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 74.6 p -116.3 5.27 13.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.926 1.291 . . . . 0.0 113.157 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.51 42.07 21.55 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.503 1.521 . . . . 0.0 113.324 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -116.01 -176.37 2.93 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.07 1.748 . . . . 0.0 111.369 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -133.33 166.18 23.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.551 1.54 . . . . 0.0 110.04 169.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -35.4 64.15 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.138 -0.977 . . . . 0.0 112.759 -173.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.82 81.77 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.735 1.214 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -63.05 -43.6 98.19 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.329 -0.857 . . . . 0.0 111.107 173.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.9 t -67.2 -43.98 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.476 -0.297 . . . . 0.0 110.66 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -54.82 -49.7 70.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.492 1.117 . . . . 0.0 111.561 173.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -43.76 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.97 1.308 . . . . 0.0 111.518 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -65.3 -47.44 76.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.93 0.786 . . . . 0.0 111.913 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -66.85 -25.27 66.34 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -74.3 -44.07 54.17 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.077 0.951 . . . . 0.0 111.934 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 123.399 0.68 . . . . 0.0 112.804 175.226 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -94.26 157.79 15.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 0.0 111.46 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -61.67 -8.28 4.39 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -98.25 -42.35 7.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.292 1.437 . . . . 0.0 112.404 172.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.11 -43.67 91.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.189 0.904 . . . . 0.0 111.393 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.76 -31.52 62.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.245 1.418 . . . . 0.0 113.3 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -71.02 -42.47 69.53 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.291 0.637 . . . . 0.0 111.33 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -70.4 -34.3 72.37 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.147 0.579 . . . . 0.0 111.645 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.45 -51.09 62.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.537 1.135 . . . . 0.0 111.7 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -74.04 -19.98 60.45 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.23 -47.81 26.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.757 0.823 . . . . 0.0 112.167 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -69.66 -25.45 63.91 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.915 -1.116 . . . . 0.0 112.48 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.32 -25.39 61.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.635 1.574 . . . . 0.0 112.577 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -75.52 -38.63 59.26 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.384 -0.823 . . . . 0.0 113.05 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -82.99 -27.41 30.44 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.682 0.793 . . . . 0.0 112.834 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -139.76 104.52 4.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.744 1.218 . . . . 0.0 110.236 -174.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -85.47 -7.43 58.92 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -152.21 65.13 5.96 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.362 1.465 . . . . 0.0 111.71 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -67.85 155.35 70.16 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.641 2.228 . . . . 0.0 112.915 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -116.65 179.3 4.05 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.667 1.987 . . . . 0.0 110.693 -171.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.9 ptm -50.5 -31.46 15.46 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.56 -1.338 . . . . 0.0 113.744 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.6 m -82.84 -43.83 16.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.673 0.789 . . . . 0.0 111.822 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.84 34.09 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -59.47 -44.57 93.0 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.539 1.063 . . . . 0.0 111.843 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.52 -42.21 98.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.265 0.484 . . . . 0.0 111.723 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.15 -37.34 64.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.846 0.748 . . . . 0.0 112.851 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.0 -32.66 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.238 0.926 . . . . 0.0 111.824 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.92 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.395 1.078 . . . . 0.0 112.798 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.13 -30.89 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 127.266 2.226 . . . . 0.0 114.104 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -116.71 7.29 13.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.983 1.313 . . . . 0.0 113.52 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -115.0 6.51 15.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.683 1.193 . . . . 0.0 113.267 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.83 39.47 23.96 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.479 1.512 . . . . 0.0 113.167 -177.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.7 -178.79 3.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.071 1.749 . . . . 0.0 111.273 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -129.88 164.78 23.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.328 1.451 . . . . 0.0 109.91 168.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 -29.17 65.56 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.894 -1.128 . . . . 0.0 113.802 -173.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.11 78.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.435 1.094 . . . . 0.0 112.098 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -58.32 -43.99 88.43 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 0.0 111.119 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.01 -46.24 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 122.894 0.478 . . . . 0.0 110.644 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -60.32 -44.6 95.32 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.832 0.742 . . . . 0.0 112.301 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.74 -44.07 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.126 0.97 . . . . 0.0 111.585 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -64.82 -48.28 74.97 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.86 -0.525 . . . . 0.0 111.767 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -62.61 -33.53 75.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.759 0.823 . . . . 0.0 112.323 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.51 -48.26 73.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.645 0.778 . . . . 0.0 111.174 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 122.823 0.449 . . . . 0.0 111.606 174.442 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -98.3 158.27 15.67 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.219 1.008 . . . . 0.0 111.365 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -61.78 -9.44 6.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -97.46 -41.33 8.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.284 1.434 . . . . 0.0 112.472 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -59.95 -43.2 95.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.155 0.889 . . . . 0.0 111.571 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.8 mt -55.99 -31.36 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.093 1.357 . . . . 0.0 113.133 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -70.84 -42.44 70.17 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.389 0.675 . . . . 0.0 111.433 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.66 -34.46 72.05 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.094 0.558 . . . . 0.0 111.641 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.91 -51.87 59.57 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.488 1.115 . . . . 0.0 111.536 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.47 -23.43 61.04 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -46.24 32.61 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.83 0.741 . . . . 0.0 112.117 173.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -69.93 -27.98 65.21 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.238 -0.914 . . . . 0.0 112.176 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.11 -27.08 63.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.48 1.512 . . . . 0.0 112.976 170.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.15 -39.37 65.73 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.173 -0.955 . . . . 0.0 113.038 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -86.82 -23.96 25.15 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.416 1.086 . . . . 0.0 113.541 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -137.33 103.69 5.16 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.972 1.309 . . . . 0.0 110.135 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -80.2 -13.05 59.55 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.04 64.57 7.57 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 125.069 1.348 . . . . 0.0 113.033 -174.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.03 169.17 15.54 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.69 2.26 . . . . 0.0 112.155 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -140.31 -173.3 3.63 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.56 1.544 . . . . 0.0 110.724 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -48.87 -29.58 4.83 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -81.71 -34.76 30.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.76 0.709 . . . . 0.0 112.88 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.36 -34.79 14.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.689 1.196 . . . . 0.0 113.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -62.15 -43.01 99.78 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.807 1.643 . . . . 0.0 111.89 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -63.4 -42.94 98.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.446 0.566 . . . . 0.0 111.004 171.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.1 -31.89 65.74 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.04 -32.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 120.118 1.327 . . . . 0.0 112.261 172.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.75 -28.81 64.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.27 -33.31 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.868 2.467 . . . . 0.0 114.01 -173.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -114.94 7.14 15.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.804 1.241 . . . . 0.0 113.329 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -115.56 6.21 14.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.828 1.251 . . . . 0.0 113.233 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 58.25 40.95 24.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.589 1.556 . . . . 0.0 113.798 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.95 -177.92 3.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.12 1.768 . . . . 0.0 111.564 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -130.55 163.42 27.12 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.535 1.534 . . . . 0.0 109.375 167.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -32.38 68.3 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.966 -1.084 . . . . 0.0 113.192 -170.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.05 89.27 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.561 1.144 . . . . 0.0 112.344 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -61.0 -44.78 96.93 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.411 -0.806 . . . . 0.0 110.924 172.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.99 -42.31 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.133 0.573 . . . . 0.0 110.548 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -62.41 -44.85 95.45 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.637 1.175 . . . . 0.0 112.225 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.3 t -62.83 -44.26 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.784 1.234 . . . . 0.0 111.56 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -64.51 -48.64 74.38 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.463 0.574 . . . . 0.0 111.852 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.09 -33.52 76.23 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.955 0.502 . . . . 0.0 111.662 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -67.06 -38.7 86.26 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 111.858 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 122.536 0.335 . . . . 0.0 111.9 169.771 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.984 0.421 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -93.27 157.54 16.2 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.392 0.677 . . . . 0.0 111.111 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -62.56 -7.62 4.99 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -98.81 -41.7 7.52 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.256 1.422 . . . . 0.0 112.4 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -58.88 -44.1 91.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.304 0.956 . . . . 0.0 111.27 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -31.87 62.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.122 1.369 . . . . 0.0 113.337 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -71.72 -41.96 67.91 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.387 0.675 . . . . 0.0 111.436 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -70.36 -34.3 72.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.048 0.539 . . . . 0.0 111.555 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.5 mt -65.12 -51.89 58.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.45 1.1 . . . . 0.0 111.562 173.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.38 -20.69 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.39 -47.81 25.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.661 0.784 . . . . 0.0 112.024 170.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.039 -1.038 . . . . 0.0 112.327 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -58.02 -28.42 64.45 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.887 1.675 . . . . 0.0 112.905 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -72.31 -38.89 68.59 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.391 -0.818 . . . . 0.0 112.95 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -86.77 -25.59 24.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.463 1.105 . . . . 0.0 113.312 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -138.43 101.63 4.42 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.145 1.378 . . . . 0.0 109.845 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.3 -12.56 59.94 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 -176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -150.32 65.67 7.36 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.089 1.356 . . . . 0.0 112.033 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.68 152.07 82.75 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.055 2.503 . . . . 0.0 112.497 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -109.06 175.83 5.31 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.82 2.048 . . . . 0.0 110.046 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.7 ptm -49.63 -35.45 21.18 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.976 1.262 . . . . 0.0 113.006 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.3 m -75.88 -42.09 50.21 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.677 -0.64 . . . . 0.0 112.483 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.27 -34.29 37.12 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.827 0.851 . . . . 0.0 112.903 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -60.67 -44.74 96.12 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.558 1.143 . . . . 0.0 111.756 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.12 -43.57 98.68 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.245 0.475 . . . . 0.0 111.332 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.96 -30.58 66.11 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -32.23 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.895 1.225 . . . . 0.0 112.062 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.38 -29.57 66.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.491 1.116 . . . . 0.0 112.915 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.65 -32.27 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.831 2.452 . . . . 0.0 113.956 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -115.68 7.13 14.64 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.986 1.314 . . . . 0.0 113.435 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -115.45 6.42 14.75 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.667 1.187 . . . . 0.0 113.231 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.61 40.61 23.35 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.321 1.449 . . . . 0.0 113.018 -176.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -117.47 -179.09 3.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.163 1.785 . . . . 0.0 111.33 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -128.69 161.88 28.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.522 1.529 . . . . 0.0 109.257 167.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -27.64 67.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.547 -1.346 . . . . 0.0 113.57 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.18 91.07 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.259 1.024 . . . . 0.0 112.504 174.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -59.4 -45.62 91.0 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.407 -0.808 . . . . 0.0 110.893 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.9 -44.06 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.255 0.622 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -58.28 -47.28 84.15 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.637 1.175 . . . . 0.0 111.578 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.6 -46.57 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.002 1.321 . . . . 0.0 111.355 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -62.9 -47.58 82.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.931 0.492 . . . . 0.0 111.884 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.7 -32.41 73.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.276 0.63 . . . . 0.0 112.275 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -65.68 -44.97 84.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.512 0.725 . . . . 0.0 111.364 173.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 122.636 0.374 . . . . 0.0 111.817 175.234 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -99.18 158.34 15.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.322 1.049 . . . . 0.0 111.454 175.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -61.86 -9.97 8.11 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -95.81 -41.17 8.97 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.474 . . . . 0.0 112.48 172.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.9 -42.06 98.63 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.206 0.912 . . . . 0.0 111.552 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 mt -56.17 -31.68 63.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.105 1.362 . . . . 0.0 112.932 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -69.14 -41.78 76.86 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.696 0.798 . . . . 0.0 111.554 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -72.57 -34.05 67.2 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.989 0.515 . . . . 0.0 111.559 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.64 -51.2 63.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.335 1.054 . . . . 0.0 111.276 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.63 -29.4 67.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -38.29 59.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.131 0.878 . . . . 0.0 112.867 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -78.65 -24.39 45.23 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.556 -0.715 . . . . 0.0 112.344 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.05 -27.36 68.84 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.429 1.092 . . . . 0.0 112.599 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -70.24 -39.54 74.99 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.207 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -91.01 -22.01 20.99 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.489 1.115 . . . . 0.0 113.926 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -135.51 103.67 5.55 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.719 1.208 . . . . 0.0 110.029 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -81.9 -9.44 59.59 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -151.32 64.3 6.02 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.889 1.276 . . . . 0.0 112.553 -172.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -66.61 152.97 79.61 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.993 2.462 . . . . 0.0 112.408 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -114.7 178.33 4.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.344 2.257 . . . . 0.0 110.523 -173.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.0 ptm -51.58 -28.06 12.92 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.624 -1.298 . . . . 0.0 114.043 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -44.5 14.0 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.739 0.816 . . . . 0.0 112.161 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.45 -34.24 41.73 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.144 0.978 . . . . 0.0 113.27 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 81.2 mtm-85 -58.78 -46.1 88.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.159 0.983 . . . . 0.0 111.717 169.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.9 -43.2 98.84 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.004 -0.435 . . . . 0.0 111.419 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.66 -32.18 67.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.33 -32.82 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.908 1.231 . . . . 0.0 111.925 172.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -29.9 67.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.54 1.136 . . . . 0.0 112.883 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.4 -32.93 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.867 2.467 . . . . 0.0 113.944 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -115.01 7.12 15.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.908 1.283 . . . . 0.0 113.461 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -115.41 5.94 14.67 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.147 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 57.86 40.85 25.58 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.649 1.58 . . . . 0.0 113.653 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -117.04 179.74 3.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.975 1.71 . . . . 0.0 111.589 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -126.22 163.55 22.92 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.127 1.371 . . . . 0.0 109.591 168.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -29.67 69.08 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.87 -1.144 . . . . 0.0 113.249 -171.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.97 70.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.973 1.309 . . . . 0.0 113.217 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -70.22 -38.42 75.25 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.055 0.843 . . . . 0.0 111.179 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 t -67.62 -47.36 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 174.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.66 -50.0 69.24 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.344 . . . . 0.0 111.623 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -70.37 -36.67 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.083 0.553 . . . . 0.0 112.232 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -65.04 -48.29 74.39 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.602 0.637 . . . . 0.0 111.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.03 -31.24 72.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.872 0.869 . . . . 0.0 112.357 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -69.76 -41.22 75.47 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.389 1.076 . . . . 0.0 111.855 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 173.377 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 112.029 -0.429 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 8.5 t -149.41 168.6 22.96 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.267 1.427 . . . . 0.0 111.554 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -73.23 143.47 47.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.416 1.086 . . . . 0.0 111.688 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -80.05 -17.2 53.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.438 1.095 . . . . 0.0 113.893 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -135.67 153.83 51.49 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.711 2.005 . . . . 0.0 110.929 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -79.81 82.68 5.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.285 1.034 . . . . 0.0 110.371 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -134.34 147.48 50.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.032 1.733 . . . . 0.0 111.49 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -85.32 51.35 2.16 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.103 1.361 . . . . 0.0 111.333 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 57.7 m80 58.96 -7.57 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.189 2.596 . . . . 0.0 116.662 -169.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -141.44 166.35 24.99 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.284 1.833 . . . . 0.0 111.993 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.8 p -107.01 160.62 15.4 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.176 1.391 . . . . 0.0 111.444 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -60.44 -11.66 7.43 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -95.8 -41.53 8.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.244 1.418 . . . . 0.0 112.548 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.91 -40.83 94.63 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.252 -0.905 . . . . 0.0 111.704 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.64 -30.06 65.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.954 1.302 . . . . 0.0 113.138 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -71.51 -41.18 69.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.427 0.691 . . . . 0.0 111.461 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -70.88 -33.09 70.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.049 0.539 . . . . 0.0 111.924 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.88 -51.32 62.65 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.336 1.055 . . . . 0.0 111.592 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.45 -20.06 60.8 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.02 -47.1 30.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.617 0.767 . . . . 0.0 111.935 169.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -71.23 -23.39 61.99 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.931 -1.106 . . . . 0.0 112.682 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.92 -23.53 61.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.523 1.529 . . . . 0.0 112.624 169.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -77.68 -38.43 47.53 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.296 -0.877 . . . . 0.0 113.013 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.2 -25.65 31.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.794 1.238 . . . . 0.0 113.021 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -140.55 107.64 5.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.886 1.274 . . . . 0.0 110.361 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -87.64 -6.97 58.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.615 0.766 . . . . 0.0 112.975 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -153.24 65.2 5.44 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.219 1.408 . . . . 0.0 111.987 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -67.73 154.83 72.18 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.446 2.098 . . . . 0.0 112.565 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -118.36 177.15 4.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.468 2.307 . . . . 0.0 110.185 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.6 ptm -48.08 -32.91 7.36 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.636 -1.29 . . . . 0.0 113.886 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 35.5 m -80.07 -42.0 24.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.322 0.649 . . . . 0.0 112.332 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -33.73 28.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.025 0.93 . . . . 0.0 113.104 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.32 -44.77 84.46 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.058 -1.026 . . . . 0.0 111.16 169.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.34 -42.39 92.92 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.243 0.474 . . . . 0.0 112.075 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -51.58 -40.92 60.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.805 0.842 . . . . 0.0 112.895 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.25 -32.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.968 0.804 . . . . 0.0 111.469 178.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.1 -28.21 64.16 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.83 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.28 -31.57 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 127.194 2.197 . . . . 0.0 114.121 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -115.7 5.78 14.32 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.854 1.262 . . . . 0.0 113.495 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -114.08 3.86 15.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 113.182 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t30 57.55 44.04 21.68 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.638 1.575 . . . . 0.0 113.639 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -117.24 -176.92 3.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.314 1.846 . . . . 0.0 111.243 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -130.5 162.25 29.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.976 1.311 . . . . 0.0 109.694 168.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.53 -29.99 64.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.36 88.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.019 0.928 . . . . 0.0 112.29 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -59.31 -46.46 88.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.887 0.875 . . . . 0.0 110.313 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.8 t -63.32 -45.44 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.011 0.525 . . . . 0.0 110.936 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -58.86 -46.53 87.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.874 0.869 . . . . 0.0 112.119 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.85 -43.78 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.017 1.327 . . . . 0.0 111.31 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.13 -49.51 71.89 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 122.794 0.438 . . . . 0.0 111.814 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -63.59 -32.97 74.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.682 0.793 . . . . 0.0 112.402 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -65.33 -48.7 72.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.638 0.775 . . . . 0.0 111.195 174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -64.53 -38.59 91.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.942 0.497 . . . . 0.0 111.584 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -68.22 -38.23 81.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 118.243 -0.884 . . . . 0.0 112.661 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -62.39 -42.2 99.24 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.23 0.923 . . . . 0.0 112.187 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.42 -32.59 74.07 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -82.36 -34.33 28.47 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.072 1.349 . . . . 0.0 113.134 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.36 -42.07 73.43 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.738 1.615 . . . . 0.0 110.938 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -63.49 -23.4 67.38 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -85.88 -31.24 22.32 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.596 1.158 . . . . 0.0 112.361 172.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -91.31 -24.19 19.9 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.344 1.858 . . . . 0.0 113.694 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 50.31 46.59 24.88 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.943 2.497 . . . . 0.0 112.688 -172.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -58.16 -37.88 75.53 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.843 1.257 . . . . 0.0 113.415 -173.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -131.61 137.56 48.45 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.394 1.878 . . . . 0.0 110.248 170.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.6 mm -142.43 139.04 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 127.331 2.252 . . . . 0.0 107.724 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.28 124.33 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.367 0.667 . . . . 0.0 110.053 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -100.78 -8.0 23.12 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.962 1.705 . . . . 0.0 113.812 177.663 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 34.0 m -68.11 143.32 55.49 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.279 1.032 . . . . 0.0 113.114 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -75.23 150.38 38.63 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.546 1.139 . . . . 0.0 111.763 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -104.22 -7.47 20.07 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -71.58 161.33 31.18 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.708 1.603 . . . . 0.0 112.673 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -132.34 99.16 4.59 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.321 1.448 . . . . 0.0 109.567 173.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -79.92 -20.34 45.96 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -175.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 10.7 m -91.94 134.72 34.54 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.857 1.263 . . . . 0.0 111.231 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -91.59 -3.98 55.83 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -134.48 165.1 25.97 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.575 1.95 . . . . 0.0 111.786 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -100.57 158.96 15.54 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.448 1.099 . . . . 0.0 111.237 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.6 m -61.23 -11.44 9.44 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.21 -40.76 9.02 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.271 1.428 . . . . 0.0 112.519 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.58 -42.27 96.37 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.271 -0.893 . . . . 0.0 111.654 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -55.8 -31.71 62.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.965 1.306 . . . . 0.0 113.197 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -69.49 -40.4 77.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -73.02 -31.0 64.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.354 0.661 . . . . 0.0 111.835 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.46 -51.08 55.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.389 1.076 . . . . 0.0 111.573 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.76 -23.88 63.44 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.24 -47.42 35.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.118 0.872 . . . . 0.0 112.222 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.9 t -70.91 -25.41 62.75 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.012 -1.055 . . . . 0.0 112.565 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -57.46 -29.44 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.307 1.443 . . . . 0.0 111.952 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -71.97 -39.51 69.29 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.431 -0.793 . . . . 0.0 113.088 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -82.69 -27.2 31.4 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.554 0.742 . . . . 0.0 112.812 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -138.63 101.05 4.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.658 1.183 . . . . 0.0 110.489 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -84.26 -4.98 59.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.948 0.899 . . . . 0.0 112.898 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -152.26 63.99 5.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.701 1.6 . . . . 0.0 112.078 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.67 156.27 66.06 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.558 2.172 . . . . 0.0 112.354 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -119.66 176.75 5.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.09 2.156 . . . . 0.0 110.433 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.0 ptm -49.68 -31.27 10.72 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.804 -1.185 . . . . 0.0 113.92 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.2 m -81.35 -42.6 20.27 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.512 0.725 . . . . 0.0 112.297 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.92 34.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.3 -46.01 79.99 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.363 0.983 . . . . 0.0 111.449 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.46 -40.6 89.49 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 119.058 -0.496 . . . . 0.0 112.181 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -52.15 -39.22 59.67 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.129 0.877 . . . . 0.0 112.868 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -83.21 -31.68 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.215 0.916 . . . . 0.0 111.812 178.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.33 -27.99 62.78 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.387 1.075 . . . . 0.0 112.939 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.79 -31.4 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.25 2.22 . . . . 0.0 114.04 -171.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -115.59 6.26 14.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.953 1.301 . . . . 0.0 113.618 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -114.75 5.05 15.16 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.6 1.16 . . . . 0.0 113.317 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 49.0 t30 57.42 42.76 24.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.446 1.498 . . . . 0.0 113.472 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.2 mt -116.09 -178.04 3.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.16 1.784 . . . . 0.0 111.033 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -131.39 167.81 18.65 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.446 1.498 . . . . 0.0 109.881 168.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.21 -41.94 50.6 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.559 1.072 . . . . 0.0 112.062 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.83 92.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.243 0.617 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 -58.34 -47.99 81.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.724 0.81 . . . . 0.0 111.314 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.63 -45.06 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 122.749 0.42 . . . . 0.0 110.965 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -57.98 -46.46 85.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.68 1.192 . . . . 0.0 111.312 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -62.27 -44.52 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.869 1.268 . . . . 0.0 111.712 175.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -65.74 -44.92 84.48 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.23 -33.04 72.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 111.986 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -67.08 -44.92 78.83 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.951 -1.093 . . . . 0.0 111.241 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -60.91 -33.77 73.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.237 0.615 . . . . 0.0 111.777 171.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -43.68 92.48 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.266 -0.896 . . . . 0.0 113.245 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -37.52 84.7 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.903 0.881 . . . . 0.0 111.246 173.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.52 72.32 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -80.28 -36.8 33.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.409 1.484 . . . . 0.0 113.038 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -55.91 -45.5 78.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.062 1.345 . . . . 0.0 112.153 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -60.98 -20.65 62.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -71.49 -18.96 62.26 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.634 1.174 . . . . 0.0 113.545 174.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 81.9 mmt-85 -130.19 -17.91 3.37 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.307 1.443 . . . . 0.0 114.559 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 54.88 43.41 30.0 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.776 1.631 . . . . 0.0 112.859 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.88 -38.09 84.44 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.36 1.064 . . . . 0.0 112.737 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -99.93 149.4 23.47 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.645 1.578 . . . . 0.0 110.268 168.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 mm -128.72 131.66 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.434 1.494 . . . . 0.0 109.395 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 49.4 t -81.86 127.41 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.36 1.064 . . . . 0.0 110.071 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 53.8 p -118.21 -13.09 9.9 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.329 1.852 . . . . 0.0 112.779 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 26.6 m 55.74 27.56 10.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.887 1.675 . . . . 0.0 115.479 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -139.59 155.79 47.25 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.999 1.719 . . . . 0.0 111.328 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -70.16 145.17 51.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.675 1.19 . . . . 0.0 111.502 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -65.09 153.41 40.88 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.742 1.217 . . . . 0.0 112.137 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -134.16 113.6 12.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.22 1.408 . . . . 0.0 109.754 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -102.51 173.28 6.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.769 1.628 . . . . 0.0 113.262 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m 67.47 146.73 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.365 2.266 . . . . 0.0 113.886 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -81.68 0.26 39.53 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -176.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -140.7 162.52 35.19 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.288 1.435 . . . . 0.0 112.533 -176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -103.02 160.16 14.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.106 1.362 . . . . 0.0 111.178 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.2 m -61.01 -11.53 8.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -95.35 -41.58 8.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.228 1.411 . . . . 0.0 112.48 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.25 -41.49 96.99 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.238 -0.914 . . . . 0.0 111.747 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.66 -30.49 63.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.068 1.347 . . . . 0.0 113.173 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -70.61 -42.0 71.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.471 0.709 . . . . 0.0 111.417 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -70.83 -34.14 71.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.235 0.614 . . . . 0.0 111.74 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.97 -51.42 61.83 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.298 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.18 -20.32 60.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.779 1.399 . . . . 0.0 114.779 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -46.85 29.35 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.7 0.682 . . . . 0.0 112.132 170.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -70.85 -26.72 63.39 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.119 -0.988 . . . . 0.0 112.292 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.56 -28.77 60.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.461 1.504 . . . . 0.0 112.768 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.6 -38.3 70.88 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.357 -0.839 . . . . 0.0 113.063 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -88.69 -23.39 23.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.679 1.192 . . . . 0.0 113.743 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -138.95 101.02 4.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.143 1.377 . . . . 0.0 109.919 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -80.23 -10.93 59.77 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -150.54 65.71 7.23 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.23 1.412 . . . . 0.0 111.968 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -66.49 156.94 63.03 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.017 2.478 . . . . 0.0 112.443 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -118.02 176.65 5.11 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.259 2.224 . . . . 0.0 110.539 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.4 -31.56 9.83 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.718 -1.239 . . . . 0.0 114.042 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.8 m -80.9 -43.58 19.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.459 0.703 . . . . 0.0 112.13 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.16 -35.52 41.83 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.928 0.891 . . . . 0.0 112.973 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -56.19 -47.47 78.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.439 1.096 . . . . 0.0 111.612 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -41.27 94.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.041 -0.412 . . . . 0.0 111.708 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.33 -32.17 64.42 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.33 -32.52 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 120.002 1.274 . . . . 0.0 111.979 172.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.93 65.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.468 1.107 . . . . 0.0 112.879 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.42 -34.05 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 127.824 2.45 . . . . 0.0 114.041 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -114.08 6.15 16.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.727 1.211 . . . . 0.0 113.412 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.3 p -114.45 4.57 15.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.748 1.219 . . . . 0.0 113.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.13 42.56 22.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.495 1.518 . . . . 0.0 113.078 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -116.77 -177.91 3.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.31 1.844 . . . . 0.0 111.252 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.5 t -130.94 167.2 19.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.343 1.457 . . . . 0.0 109.562 168.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.12 -42.04 49.81 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.115 0.871 . . . . 0.0 111.961 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.51 91.43 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.1 0.56 . . . . 0.0 112.027 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -61.02 -46.95 88.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.995 0.918 . . . . 0.0 110.817 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.91 -44.75 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.021 0.373 . . . . 0.0 111.274 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -58.55 -46.37 87.02 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.764 1.226 . . . . 0.0 111.327 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.678 1.191 . . . . 0.0 111.647 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -64.07 -49.08 73.69 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.48 0.582 . . . . 0.0 111.827 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.1 -32.08 73.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.243 0.617 . . . . 0.0 112.108 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -66.75 -39.48 87.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.022 0.929 . . . . 0.0 111.99 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -68.96 -43.0 75.89 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.006 -0.434 . . . . 0.0 111.986 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -63.6 -40.63 97.43 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.205 -0.934 . . . . 0.0 112.644 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -69.67 -32.07 70.49 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.751 0.705 . . . . 0.0 112.626 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.54 -31.64 68.77 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 173.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -79.58 -38.04 34.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.884 1.273 . . . . 0.0 113.112 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -54.58 -44.45 73.01 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.071 1.348 . . . . 0.0 112.024 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -60.8 -21.64 63.32 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.23 -23.24 57.53 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.295 1.038 . . . . 0.0 112.96 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -114.6 -22.44 9.77 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.872 1.669 . . . . 0.0 113.933 -174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 54.55 40.75 32.06 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.36 1.864 . . . . 0.0 113.223 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.47 -41.47 93.31 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.532 0.733 . . . . 0.0 112.475 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -97.88 144.5 27.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.51 1.524 . . . . 0.0 109.766 168.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.41 140.58 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.784 1.234 . . . . 0.0 110.539 -173.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 45.6 t -122.67 132.57 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.726 1.61 . . . . 0.0 109.42 171.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 52.3 p -108.59 -8.37 15.49 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.867 1.267 . . . . 0.0 114.358 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.98 1.712 . . . . 0.0 113.83 177.816 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 46.7 t -149.92 149.43 30.41 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.966 1.306 . . . . 0.0 112.05 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -75.61 -16.57 60.21 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.329 1.052 . . . . 0.0 112.847 170.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 61.61 -46.81 0.14 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 129.704 3.202 . . . . 0.0 117.137 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 61.83 164.64 0.09 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 128.423 2.689 . . . . 0.0 114.175 -171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -75.77 -32.57 59.99 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 61.58 -25.94 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 129.026 2.93 . . . . 0.0 117.015 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 56.3 m -131.92 137.29 47.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.545 1.938 . . . . 0.0 109.881 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -112.67 3.59 16.69 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -139.58 164.5 29.73 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.899 1.28 . . . . 0.0 112.613 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -104.4 160.3 15.02 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.052 1.341 . . . . 0.0 111.135 170.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.7 m -61.03 -11.81 9.56 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -95.36 -41.39 9.03 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.23 1.412 . . . . 0.0 112.482 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.79 -41.49 95.69 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.288 -0.882 . . . . 0.0 111.613 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.96 -30.64 64.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.988 1.315 . . . . 0.0 113.188 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -70.76 -41.31 71.92 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.445 0.698 . . . . 0.0 111.39 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.85 -32.52 67.58 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.19 0.596 . . . . 0.0 111.919 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.3 mt -65.69 -49.81 67.17 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 172.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.45 -16.82 60.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.98 -47.3 21.17 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.805 0.842 . . . . 0.0 112.176 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.4 t -70.12 -25.18 63.37 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.973 -1.08 . . . . 0.0 112.365 177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.89 -28.21 55.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.738 1.615 . . . . 0.0 112.362 169.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -72.09 -37.73 69.51 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -86.33 -26.77 24.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.864 0.866 . . . . 0.0 113.131 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -142.33 103.96 4.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.012 1.325 . . . . 0.0 110.225 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -81.09 -11.47 59.49 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -151.05 66.71 7.38 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.134 1.374 . . . . 0.0 111.99 -172.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -66.93 156.34 66.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.127 2.551 . . . . 0.0 112.737 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -117.42 177.27 4.8 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.205 2.202 . . . . 0.0 110.83 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.2 ptm -50.15 -28.99 8.25 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.628 -1.295 . . . . 0.0 114.111 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 31.8 p -80.74 -50.4 9.92 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.113 1.365 . . . . 0.0 112.702 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.38 -33.85 61.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.226 1.01 . . . . 0.0 113.147 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -58.36 -47.17 84.68 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.243 1.017 . . . . 0.0 111.397 169.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.05 -41.99 99.62 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.913 -0.492 . . . . 0.0 111.323 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.58 -36.05 61.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.77 -31.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.636 1.107 . . . . 0.0 111.969 176.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.52 63.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.318 1.047 . . . . 0.0 112.668 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.32 -31.7 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 127.294 2.238 . . . . 0.0 114.144 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -115.97 6.19 14.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.831 1.252 . . . . 0.0 113.479 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 76.5 p -114.83 5.23 15.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.717 1.207 . . . . 0.0 113.238 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.88 42.91 22.36 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.595 1.558 . . . . 0.0 113.708 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -117.19 -178.53 3.47 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.096 1.758 . . . . 0.0 111.463 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.0 t -130.7 164.7 24.48 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.446 1.498 . . . . 0.0 109.618 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -31.18 67.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.875 -1.141 . . . . 0.0 113.104 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.54 85.11 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.479 1.112 . . . . 0.0 112.441 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -62.29 -44.79 95.71 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.328 -0.858 . . . . 0.0 110.421 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.39 -44.39 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.526 0.33 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -55.76 -48.24 75.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.949 1.3 . . . . 0.0 111.372 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.749 1.22 . . . . 0.0 111.531 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.9 -47.44 77.77 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.058 0.845 . . . . 0.0 112.195 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.65 -24.09 64.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.567 0.747 . . . . 0.0 112.794 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -74.45 -37.24 63.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.472 1.109 . . . . 0.0 111.991 169.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -69.17 -38.84 78.92 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.541 -0.724 . . . . 0.0 112.38 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -64.49 -41.67 96.31 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.912 -1.117 . . . . 0.0 112.522 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -69.45 -32.55 71.55 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.03 -41.86 90.38 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.606 0.639 . . . . 0.0 111.513 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -65.78 -35.92 82.07 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.364 1.066 . . . . 0.0 111.753 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -61.35 -49.98 74.76 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.333 0.515 . . . . 0.0 110.958 168.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.68 -25.42 67.39 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -67.85 -26.72 66.18 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.122 0.969 . . . . 0.0 113.422 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -108.98 -24.33 11.27 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.39 1.476 . . . . 0.0 114.189 -175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 54.01 40.09 31.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.226 1.81 . . . . 0.0 113.597 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.82 -23.84 66.09 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.158 0.983 . . . . 0.0 113.377 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -133.73 152.88 51.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.76 2.424 . . . . 0.0 109.668 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 43.8 mm -122.78 132.61 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.847 1.259 . . . . 0.0 110.944 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -105.19 131.81 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.559 1.544 . . . . 0.0 109.382 172.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 51.2 p -113.73 -14.93 12.53 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -173.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.193 1.797 . . . . 0.0 112.87 179.726 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 16.8 m -64.08 -13.14 45.27 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -70.2 -22.02 62.97 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.388 1.075 . . . . 0.0 112.915 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -91.52 148.28 22.4 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.037 1.335 . . . . 0.0 111.793 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -87.43 143.35 27.27 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.992 1.317 . . . . 0.0 111.302 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -84.31 100.87 11.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.352 0.661 . . . . 0.0 110.812 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -86.03 165.15 16.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.834 1.254 . . . . 0.0 111.032 169.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 25.7 m 57.44 104.55 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.356 2.262 . . . . 0.0 114.951 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -74.54 -22.6 58.94 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.98 156.74 39.27 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.288 1.035 . . . . 0.0 112.596 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -96.84 158.09 15.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.117 0.967 . . . . 0.0 111.368 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -61.92 -8.67 5.4 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -97.96 -41.59 7.92 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.352 1.461 . . . . 0.0 112.399 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.73 -42.66 93.63 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.154 0.888 . . . . 0.0 111.523 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.01 -30.67 64.38 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.026 1.33 . . . . 0.0 113.216 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -71.1 -41.4 70.65 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.373 0.669 . . . . 0.0 111.314 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -71.3 -33.18 69.47 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.154 0.582 . . . . 0.0 111.861 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.74 -50.13 65.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.322 1.049 . . . . 0.0 111.503 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -74.72 -18.44 60.5 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -47.1 27.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.825 0.85 . . . . 0.0 112.024 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -70.11 -25.38 63.47 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.9 -1.125 . . . . 0.0 112.482 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.95 -27.24 60.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.498 1.519 . . . . 0.0 112.595 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -72.95 -38.73 66.65 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.459 -0.776 . . . . 0.0 113.0 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -84.38 -27.26 27.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.695 0.798 . . . . 0.0 113.015 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -141.57 103.15 4.33 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.004 1.322 . . . . 0.0 110.125 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -80.87 -12.08 59.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -150.95 66.81 7.5 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 125.264 1.426 . . . . 0.0 111.79 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.51 151.95 81.87 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.213 2.609 . . . . 0.0 113.417 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -110.93 177.42 4.67 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 126.872 2.069 . . . . 0.0 111.106 -170.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.08 -26.04 14.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.514 -1.366 . . . . 0.0 114.166 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -86.04 -46.61 10.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.11 0.964 . . . . 0.0 111.81 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -34.49 54.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.65 1.114 . . . . 0.0 111.758 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.57 0.348 . . . . 0.0 111.654 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.98 -38.62 65.23 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.93 0.892 . . . . 0.0 112.881 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.69 -32.19 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 119.088 0.858 . . . . 0.0 111.688 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.76 67.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.216 1.006 . . . . 0.0 112.658 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.23 -30.82 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.205 2.202 . . . . 0.0 114.135 -171.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -116.71 7.11 13.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.007 1.323 . . . . 0.0 113.512 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -114.84 6.0 15.34 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.616 1.166 . . . . 0.0 113.371 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.7 t30 58.25 40.71 24.42 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.448 1.499 . . . . 0.0 113.629 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.29 179.8 3.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.975 1.71 . . . . 0.0 111.3 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.21 160.88 28.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.817 1.247 . . . . 0.0 109.278 167.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.84 -28.48 67.53 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.846 -1.159 . . . . 0.0 113.397 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.82 89.52 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.735 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -60.65 -44.16 96.75 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.6 -45.19 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.99 0.516 . . . . 0.0 109.996 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -59.95 -44.16 94.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.086 0.955 . . . . 0.0 112.244 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.55 -45.42 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.803 1.241 . . . . 0.0 111.586 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.57 -47.13 82.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.278 0.49 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -65.86 -32.21 73.59 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.451 0.7 . . . . 0.0 112.599 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -66.79 -37.84 85.33 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.966 0.906 . . . . 0.0 111.782 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -71.37 -43.47 66.84 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 169.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -63.25 -40.55 97.75 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.079 0.952 . . . . 0.0 112.582 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -67.02 -33.15 74.93 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.696 0.68 . . . . 0.0 112.423 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.4 76.8 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.817 -0.552 . . . . 0.0 111.257 172.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.28 -32.76 74.58 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.99 0.916 . . . . 0.0 112.332 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -64.16 -51.9 61.63 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.924 0.89 . . . . 0.0 111.049 169.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -61.33 -25.71 67.32 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -64.26 -27.25 68.92 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.402 1.081 . . . . 0.0 113.609 171.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -116.67 -22.98 8.37 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.352 1.461 . . . . 0.0 114.371 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 55.27 39.82 31.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.51 1.924 . . . . 0.0 113.432 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.88 -27.93 69.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.686 1.195 . . . . 0.0 113.672 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -122.51 148.4 45.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.134 2.173 . . . . 0.0 110.013 171.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 56.4 mt -135.46 132.41 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.839 1.255 . . . . 0.0 109.754 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -86.91 125.47 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.656 1.182 . . . . 0.0 109.43 172.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 61.3 p -120.95 -14.26 8.48 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -171.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.834 1.654 . . . . 0.0 114.31 178.547 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 18.5 m -70.77 -30.65 67.2 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.094 0.958 . . . . 0.0 113.574 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -78.87 127.28 31.82 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.715 0.806 . . . . 0.0 109.807 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -101.82 2.85 38.76 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -170.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -64.85 150.97 46.67 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.295 1.838 . . . . 0.0 112.885 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -91.42 -23.16 20.11 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.519 1.128 . . . . 0.0 113.377 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -137.29 175.62 9.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.036 1.734 . . . . 0.0 112.036 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -59.77 134.0 56.62 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.066 1.346 . . . . 0.0 110.955 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -2.82 58.77 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -173.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -116.91 156.96 26.48 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.176 1.79 . . . . 0.0 110.861 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -94.35 158.0 15.77 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.825 0.85 . . . . 0.0 111.681 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.5 m -63.6 -7.17 6.54 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -91.25 -44.54 9.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.219 1.007 . . . . 0.0 111.174 169.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.98 -45.39 92.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.861 0.864 . . . . 0.0 111.516 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.26 -32.29 66.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.948 1.299 . . . . 0.0 112.876 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -75.29 -37.39 60.9 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.84 -33.65 72.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.518 0.599 . . . . 0.0 111.8 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.9 -51.3 57.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.413 1.085 . . . . 0.0 111.687 174.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.17 -23.78 63.04 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.5 -47.72 25.77 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.952 0.796 . . . . 0.0 112.189 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.11 -27.69 65.81 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.184 -0.947 . . . . 0.0 112.088 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -57.11 -28.48 62.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.691 1.596 . . . . 0.0 112.873 170.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -71.61 -38.8 70.78 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.009 0.822 . . . . 0.0 113.035 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -89.74 -23.46 21.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.368 1.067 . . . . 0.0 113.733 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -138.75 101.78 4.41 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.078 1.351 . . . . 0.0 109.57 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -79.98 -12.37 59.72 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -150.24 65.78 7.48 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 125.13 1.372 . . . . 0.0 112.072 -173.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -65.68 152.43 81.71 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.069 2.513 . . . . 0.0 112.683 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -113.53 178.19 4.37 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.101 2.16 . . . . 0.0 110.794 -171.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.7 ptm -52.19 -26.55 11.84 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.562 -1.336 . . . . 0.0 114.315 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -85.27 -47.39 10.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.818 0.847 . . . . 0.0 111.814 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -34.9 59.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.181 -0.949 . . . . 0.0 113.427 -177.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -59.6 -45.6 91.41 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.367 0.985 . . . . 0.0 112.006 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.74 -44.05 97.15 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.102 0.41 . . . . 0.0 111.188 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.83 -31.28 66.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.66 -32.2 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.963 1.256 . . . . 0.0 112.069 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.02 67.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 112.933 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.83 -32.2 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.764 2.426 . . . . 0.0 113.934 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -115.6 7.48 14.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.94 1.296 . . . . 0.0 113.461 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.55 6.67 14.69 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.682 1.193 . . . . 0.0 113.236 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.24 39.63 25.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.312 1.445 . . . . 0.0 113.077 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.26 -179.73 3.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.132 1.773 . . . . 0.0 111.342 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -127.05 162.03 26.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.25 1.42 . . . . 0.0 109.294 167.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -28.21 68.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.619 -1.301 . . . . 0.0 113.438 -172.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.16 87.71 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.318 1.047 . . . . 0.0 112.532 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -60.3 -44.88 95.02 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.317 -0.864 . . . . 0.0 111.046 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.27 -44.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.091 0.556 . . . . 0.0 110.28 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -57.43 -48.25 79.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.587 1.155 . . . . 0.0 111.537 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.84 -44.81 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.906 1.282 . . . . 0.0 111.613 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.41 -47.08 80.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.391 0.541 . . . . 0.0 111.603 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.92 -32.68 74.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.245 0.618 . . . . 0.0 112.309 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -66.19 -41.54 90.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.014 0.926 . . . . 0.0 111.537 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -67.84 -40.96 83.65 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 122.12 -0.363 . . . . 0.0 111.951 170.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -66.49 -38.36 87.1 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.04 -1.037 . . . . 0.0 113.121 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -71.17 -33.0 69.58 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.282 0.633 . . . . 0.0 112.375 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.92 -32.3 72.66 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -79.51 -37.64 36.22 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.856 1.263 . . . . 0.0 113.193 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -54.4 -44.16 72.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.848 1.259 . . . . 0.0 111.98 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -61.54 -24.05 66.37 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -175.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -80.01 -28.86 39.35 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.398 1.079 . . . . 0.0 112.505 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -94.69 -30.61 14.21 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.97 1.708 . . . . 0.0 113.596 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 55.31 45.07 26.32 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.624 1.97 . . . . 0.0 113.16 -172.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -62.07 -28.41 69.59 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.287 1.435 . . . . 0.0 113.274 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -136.93 152.69 50.47 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.86 2.464 . . . . 0.0 109.898 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 42.7 mm -123.96 129.14 74.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.042 1.337 . . . . 0.0 109.989 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 49.9 t -86.67 127.39 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.419 1.087 . . . . 0.0 109.533 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -116.23 -12.7 11.15 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.181 1.793 . . . . 0.0 112.818 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 14.8 m -65.5 133.37 51.11 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.247 1.019 . . . . 0.0 112.749 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -66.72 -22.4 66.06 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -74.44 -8.77 57.39 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.92 150.89 48.58 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.646 1.178 . . . . 0.0 111.963 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -135.58 107.85 7.28 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.375 1.47 . . . . 0.0 109.624 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -82.34 45.44 0.95 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.58 1.552 . . . . 0.0 113.453 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m 65.11 136.65 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.106 2.562 . . . . 0.0 114.791 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -93.11 -28.55 16.26 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -116.42 158.15 23.98 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.705 1.202 . . . . 0.0 112.466 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -97.19 157.93 15.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.913 0.885 . . . . 0.0 111.352 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -62.06 -8.25 5.11 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -98.22 -41.35 7.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.411 1.485 . . . . 0.0 112.489 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.29 -43.06 96.59 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.228 -0.92 . . . . 0.0 111.509 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.0 mt -55.96 -32.23 63.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.005 1.322 . . . . 0.0 113.2 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -68.95 -41.17 78.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.458 0.703 . . . . 0.0 111.563 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.17 -31.29 64.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.172 0.589 . . . . 0.0 111.804 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.64 -49.97 60.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.365 1.066 . . . . 0.0 111.422 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.96 -24.8 63.4 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.29 -47.0 29.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.547 0.739 . . . . 0.0 112.323 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -70.57 -24.91 62.86 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.032 -1.042 . . . . 0.0 112.386 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -58.94 -24.83 62.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.079 1.352 . . . . 0.0 112.704 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.07 -39.1 63.7 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.252 -0.905 . . . . 0.0 113.001 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -83.6 -27.35 29.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.682 0.793 . . . . 0.0 112.886 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -139.05 105.62 5.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.827 1.251 . . . . 0.0 110.464 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -84.95 -8.81 58.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.19 65.88 6.31 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.035 1.334 . . . . 0.0 111.872 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -67.52 151.34 79.91 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.92 2.413 . . . . 0.0 113.137 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.99 177.67 4.57 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.875 2.07 . . . . 0.0 110.879 -170.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.15 -25.85 14.86 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.596 -1.315 . . . . 0.0 114.136 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -86.09 -46.31 10.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.146 0.978 . . . . 0.0 111.811 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -34.34 50.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.46 -45.39 91.75 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.622 1.101 . . . . 0.0 111.748 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -61.21 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 122.08 -0.387 . . . . 0.0 111.732 171.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.03 -38.95 65.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.864 0.866 . . . . 0.0 112.833 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.98 -32.69 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.149 0.886 . . . . 0.0 111.579 177.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.85 67.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.438 1.095 . . . . 0.0 112.628 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.13 -30.41 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.406 2.282 . . . . 0.0 114.144 -171.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -117.19 7.59 13.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.906 1.282 . . . . 0.0 113.449 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -115.37 6.33 14.82 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.58 40.44 23.65 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.33 1.452 . . . . 0.0 113.023 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.29 -179.61 3.76 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.099 1.76 . . . . 0.0 111.351 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -126.65 161.7 27.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.173 1.389 . . . . 0.0 109.315 167.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.2 -28.41 67.96 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.642 -1.286 . . . . 0.0 113.587 -172.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.06 91.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.593 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -59.95 -44.45 94.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.837 0.855 . . . . 0.0 111.195 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.1 -45.14 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.198 0.599 . . . . 0.0 109.914 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -59.9 -43.62 94.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.961 0.904 . . . . 0.0 112.29 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.07 -44.94 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.805 1.242 . . . . 0.0 111.598 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -64.33 -47.08 80.76 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.889 0.768 . . . . 0.0 111.812 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.09 -28.07 68.55 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.991 0.917 . . . . 0.0 112.865 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -70.42 -44.38 68.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.259 1.023 . . . . 0.0 111.635 170.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -64.67 -35.34 80.71 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.018 -0.427 . . . . 0.0 111.932 173.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 43.9 tpt85 -67.12 -39.97 86.75 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.01 -1.056 . . . . 0.0 113.798 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -74.52 -31.83 62.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.181 0.592 . . . . 0.0 112.258 174.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.5 97.77 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.044 0.384 . . . . 0.0 111.294 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -69.48 -35.24 75.4 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.538 1.135 . . . . 0.0 112.196 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -59.91 -48.14 82.91 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.679 0.672 . . . . 0.0 111.188 168.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -61.82 -22.45 65.48 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -66.78 -25.09 66.3 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 119.347 0.976 . . . . 0.0 113.286 169.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -115.36 -24.73 8.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.609 1.564 . . . . 0.0 114.13 -173.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 54.77 38.44 30.17 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.518 1.927 . . . . 0.0 113.757 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -67.91 -43.99 77.96 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.48 -0.762 . . . . 0.0 112.325 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -93.75 152.37 18.98 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.239 1.415 . . . . 0.0 110.357 168.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 36.5 mm -130.39 130.82 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.416 1.486 . . . . 0.0 109.592 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 61.5 t -81.43 132.2 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.601 1.16 . . . . 0.0 110.298 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 46.7 p -110.86 -16.29 13.59 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.099 1.76 . . . . 0.0 112.863 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 21.4 m -64.05 138.75 58.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.328 1.051 . . . . 0.0 113.062 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -78.07 6.68 7.42 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.435 1.494 . . . . 0.0 114.584 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -73.66 26.49 0.07 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 126.983 2.113 . . . . 0.0 115.791 -174.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -85.03 153.79 22.51 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.099 1.759 . . . . 0.0 111.852 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -96.09 -15.88 21.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.795 1.238 . . . . 0.0 113.918 -171.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -92.64 144.47 25.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.919 1.288 . . . . 0.0 112.23 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 39.2 m -83.19 134.15 34.99 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.745 1.218 . . . . 0.0 111.053 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -74.33 -46.75 38.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.693 0.797 . . . . 0.0 112.811 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -75.51 156.89 34.7 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -169.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 p -100.05 158.81 15.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.923 1.289 . . . . 0.0 111.685 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.3 m -63.11 -6.54 4.27 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -92.01 -44.04 9.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.188 0.995 . . . . 0.0 111.255 169.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.0 -43.96 94.09 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.344 -0.847 . . . . 0.0 111.599 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.23 -31.82 67.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.022 1.329 . . . . 0.0 112.845 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -74.66 -38.31 62.47 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.329 0.652 . . . . 0.0 112.255 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -69.99 -34.76 73.77 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.778 0.717 . . . . 0.0 111.745 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.9 mt -65.5 -51.74 57.78 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.349 1.06 . . . . 0.0 111.456 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.17 -18.36 60.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.7 -47.34 19.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.565 0.746 . . . . 0.0 112.034 169.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.69 -26.92 64.6 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.012 -1.055 . . . . 0.0 112.305 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -55.36 -29.27 58.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.938 1.695 . . . . 0.0 112.831 169.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.93 -36.69 67.27 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -89.42 -23.91 22.03 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.666 1.186 . . . . 0.0 113.693 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -138.74 102.14 4.5 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.144 1.378 . . . . 0.0 109.701 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -81.12 -10.59 59.63 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -150.88 65.77 7.03 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.069 1.347 . . . . 0.0 112.172 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -67.07 155.86 68.93 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.961 2.44 . . . . 0.0 112.599 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -117.76 176.94 4.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.16 2.184 . . . . 0.0 110.494 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.11 -29.88 9.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.696 -1.252 . . . . 0.0 114.019 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -82.82 -43.13 17.03 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.415 0.686 . . . . 0.0 112.499 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.07 -35.02 43.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.922 0.889 . . . . 0.0 112.865 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -57.38 -46.92 82.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.367 1.067 . . . . 0.0 111.382 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.15 -42.7 99.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.215 0.461 . . . . 0.0 111.14 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.97 -30.66 64.29 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -32.94 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 120.079 1.309 . . . . 0.0 112.115 172.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.07 65.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 112.705 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.54 -32.6 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 127.736 2.415 . . . . 0.0 113.979 -173.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.68 7.51 14.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.857 1.263 . . . . 0.0 113.338 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -115.88 6.69 14.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.889 1.276 . . . . 0.0 113.157 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.38 40.22 24.51 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.59 1.556 . . . . 0.0 113.902 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -118.11 -177.22 3.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.147 1.779 . . . . 0.0 111.852 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.8 t -132.98 165.52 24.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.781 1.632 . . . . 0.0 109.707 168.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -31.21 68.13 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.023 -1.048 . . . . 0.0 113.268 -171.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.88 -37.54 86.41 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.256 1.022 . . . . 0.0 112.127 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -63.59 -44.09 95.06 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.821 0.848 . . . . 0.0 110.979 173.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.53 -44.72 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 122.762 0.425 . . . . 0.0 110.65 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.69 -49.69 72.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.951 1.301 . . . . 0.0 111.344 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.697 1.199 . . . . 0.0 111.533 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.76 -47.03 79.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.515 0.598 . . . . 0.0 111.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -68.42 -24.14 64.71 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.017 0.927 . . . . 0.0 113.117 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -75.74 -36.12 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.651 1.18 . . . . 0.0 111.893 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -71.93 -40.81 68.49 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.898 -0.501 . . . . 0.0 111.963 169.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -64.26 -37.94 89.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.821 -173.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -65.62 -32.36 73.9 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.737 1.153 . . . . 0.0 113.28 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.15 -33.99 65.82 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.532 -0.73 . . . . 0.0 112.497 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -79.28 -36.69 39.38 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.194 0.997 . . . . 0.0 113.098 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -51.91 -43.12 63.25 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.468 1.907 . . . . 0.0 111.448 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.67 -20.43 60.89 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -91.72 -10.65 39.37 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.207 1.403 . . . . 0.0 114.006 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -113.87 -21.88 10.42 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.362 1.465 . . . . 0.0 114.071 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 51.15 56.27 8.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.831 2.053 . . . . 0.0 112.278 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.42 -16.69 63.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.899 1.279 . . . . 0.0 114.443 -173.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -98.34 139.99 33.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.523 1.529 . . . . 0.0 112.01 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 36.4 mm -133.13 134.7 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.291 1.837 . . . . 0.0 109.266 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.25 131.77 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.361 1.065 . . . . 0.0 110.233 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 49.2 p -105.3 -7.69 18.73 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.973 1.709 . . . . 0.0 113.908 177.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.473 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m 55.41 32.36 18.69 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.663 1.585 . . . . 0.0 115.245 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -93.52 -12.5 29.5 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -81.66 -21.53 38.09 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -174.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -60.61 141.71 56.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.375 1.47 . . . . 0.0 112.329 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -99.25 1.25 44.53 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.847 1.259 . . . . 0.0 114.033 -172.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.16 15.6 5.36 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.096 2.159 . . . . 0.0 115.642 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . 0.256 2.8 t 53.25 172.35 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 129.246 3.019 . . . . 0.0 116.763 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -80.54 -52.75 7.25 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.092 1.357 . . . . 0.0 110.91 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -148.4 158.94 44.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.797 1.639 . . . . 0.0 111.208 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p -98.94 159.34 15.03 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.398 1.079 . . . . 0.0 111.256 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.9 m -61.29 -10.16 6.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -96.77 -41.51 8.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.262 1.425 . . . . 0.0 112.484 172.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.52 -41.72 94.96 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.25 -0.906 . . . . 0.0 111.671 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.7 mt -57.08 -30.74 64.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.113 1.365 . . . . 0.0 113.199 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -71.09 -40.99 71.2 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.371 0.669 . . . . 0.0 111.339 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -71.83 -32.36 67.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.252 0.621 . . . . 0.0 111.945 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.66 -50.38 65.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.396 1.078 . . . . 0.0 111.521 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.21 -17.19 60.93 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.15 -47.05 25.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.551 0.74 . . . . 0.0 112.042 169.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.5 t -70.25 -25.18 63.25 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.028 -1.045 . . . . 0.0 112.357 177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.98 -32.98 62.09 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.131 1.372 . . . . 0.0 111.881 169.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -68.32 -36.9 79.98 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.46 -0.775 . . . . 0.0 113.044 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -86.32 -26.97 24.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.985 0.914 . . . . 0.0 113.095 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -143.14 102.32 3.97 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.835 1.254 . . . . 0.0 110.865 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -81.02 -8.85 59.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.692 0.797 . . . . 0.0 113.056 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -151.79 65.39 6.32 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.198 1.399 . . . . 0.0 111.968 -174.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -66.66 152.84 79.84 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.099 2.532 . . . . 0.0 113.016 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -112.96 177.27 4.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.894 2.078 . . . . 0.0 110.764 -171.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.1 ptm -51.66 -27.97 13.15 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.665 -1.272 . . . . 0.0 114.125 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 32.6 m -84.3 -44.0 14.26 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.77 0.828 . . . . 0.0 112.164 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -34.13 40.38 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.029 0.932 . . . . 0.0 113.151 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -59.86 -45.29 92.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.078 -1.014 . . . . 0.0 111.964 170.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.66 -43.54 98.66 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.047 -0.408 . . . . 0.0 111.564 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.9 -37.3 63.63 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.668 0.787 . . . . 0.0 112.957 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.05 -32.21 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.213 0.915 . . . . 0.0 111.934 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.04 -29.3 67.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.145 0.978 . . . . 0.0 112.622 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.39 -30.85 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 127.31 2.244 . . . . 0.0 114.183 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -116.66 6.77 13.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.871 1.268 . . . . 0.0 113.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -114.4 5.84 15.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.617 1.167 . . . . 0.0 113.366 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 57.81 41.19 25.31 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.433 1.493 . . . . 0.0 113.525 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -116.56 -179.87 3.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.034 1.734 . . . . 0.0 111.285 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -127.46 161.35 28.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.144 1.378 . . . . 0.0 109.027 167.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -28.48 67.27 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.058 -1.026 . . . . 0.0 113.302 -171.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.82 -38.07 85.74 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.558 1.143 . . . . 0.0 112.679 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.46 -45.76 92.55 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.277 -0.889 . . . . 0.0 110.211 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.75 -43.47 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.229 0.611 . . . . 0.0 110.747 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -58.0 -46.78 84.7 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.038 1.335 . . . . 0.0 111.615 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.17 -44.84 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.733 1.213 . . . . 0.0 111.375 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.22 -48.42 75.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.369 0.531 . . . . 0.0 111.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.66 -21.96 64.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -74.21 -42.53 59.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 111.46 169.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -70.88 -37.21 73.03 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -61.33 -40.86 95.81 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.066 -1.022 . . . . 0.0 113.272 -170.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -69.75 -32.78 71.51 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.8 68.71 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.92 -38.83 31.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.579 1.152 . . . . 0.0 113.026 174.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -55.1 -45.03 75.44 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.507 1.523 . . . . 0.0 112.489 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -60.27 -20.86 60.77 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -73.33 -17.37 61.31 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.655 1.182 . . . . 0.0 113.464 174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -130.2 -18.02 3.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.372 1.469 . . . . 0.0 114.608 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 55.62 42.15 29.81 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.717 1.607 . . . . 0.0 113.013 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.94 -25.02 67.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.859 1.263 . . . . 0.0 113.789 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -119.59 153.84 34.85 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.237 2.215 . . . . 0.0 109.576 169.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 57.4 mt -131.65 128.64 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.315 1.046 . . . . 0.0 109.985 -177.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.3 t -87.72 133.15 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.166 1.387 . . . . 0.0 110.159 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 11.1 t -96.43 -28.31 14.5 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.99 1.716 . . . . 0.0 112.819 -179.649 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 31.3 m -68.18 152.19 45.85 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.469 1.107 . . . . 0.0 113.11 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -59.26 148.85 30.42 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.34 1.056 . . . . 0.0 113.297 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -81.18 49.12 1.21 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.092 1.757 . . . . 0.0 114.197 -168.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 50.53 47.2 24.53 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.992 2.117 . . . . 0.0 112.492 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -80.21 63.33 4.66 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.957 1.703 . . . . 0.0 111.935 -173.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -126.88 161.63 27.81 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 127.529 2.332 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -65.83 -28.02 68.67 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.449 1.1 . . . . 0.0 112.765 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 64.7 -32.31 0.14 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 128.781 2.832 . . . . 0.0 116.401 175.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -119.87 162.99 18.2 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.545 2.338 . . . . 0.0 110.515 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -94.69 157.53 15.92 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.783 0.833 . . . . 0.0 111.695 175.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -63.19 -6.82 4.75 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -91.5 -44.44 9.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 0.0 111.002 169.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -63.22 -45.82 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.47 -0.769 . . . . 0.0 111.297 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.83 -33.06 66.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.938 1.295 . . . . 0.0 112.932 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.38 -38.25 60.09 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.261 0.624 . . . . 0.0 112.178 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.76 -34.87 76.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.779 0.718 . . . . 0.0 111.76 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.0 -52.24 51.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.279 1.031 . . . . 0.0 111.396 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.07 -20.13 60.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.1 -44.18 26.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.421 0.688 . . . . 0.0 112.16 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -26.2 62.53 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.916 -1.115 . . . . 0.0 112.423 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.51 -26.59 61.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.502 1.521 . . . . 0.0 112.369 168.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.93 -37.7 61.97 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 113.193 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -83.93 -27.65 28.41 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.908 0.883 . . . . 0.0 112.886 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -138.19 101.2 4.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.1 1.36 . . . . 0.0 109.734 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.23 -11.82 59.69 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -150.19 66.57 7.92 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.114 1.366 . . . . 0.0 111.914 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -67.03 157.9 59.44 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.049 2.499 . . . . 0.0 112.665 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -120.55 -179.42 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.066 2.146 . . . . 0.0 110.419 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -51.12 -31.61 20.0 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.488 -1.383 . . . . 0.0 113.591 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 26.7 p -77.0 -49.45 15.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.885 1.274 . . . . 0.0 112.224 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -34.71 50.69 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.121 0.968 . . . . 0.0 113.089 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtm105 -60.46 -43.54 96.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.554 1.07 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.22 -44.45 96.54 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.326 0.512 . . . . 0.0 111.433 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.52 -32.46 67.07 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.46 -32.19 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.87 1.213 . . . . 0.0 111.833 173.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -29.93 67.3 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.382 1.073 . . . . 0.0 112.977 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.79 -31.43 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.856 2.463 . . . . 0.0 114.015 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -116.36 7.32 13.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.97 1.308 . . . . 0.0 113.522 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 65.7 p -115.25 6.67 15.04 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.67 1.188 . . . . 0.0 113.312 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.68 39.73 24.11 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.213 1.405 . . . . 0.0 113.052 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -116.95 -177.23 3.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.28 1.832 . . . . 0.0 111.214 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -130.79 163.63 26.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.538 1.535 . . . . 0.0 109.628 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.53 -25.83 64.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.96 -37.69 69.88 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.669 1.188 . . . . 0.0 112.386 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -59.22 -44.5 92.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.713 0.805 . . . . 0.0 111.004 172.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.87 -44.04 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.306 0.642 . . . . 0.0 110.359 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -60.33 -45.23 94.18 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.287 0.635 . . . . 0.0 112.175 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -42.57 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.892 1.277 . . . . 0.0 111.501 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -66.87 -46.91 73.5 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.113 0.87 . . . . 0.0 112.133 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -64.87 -30.4 71.4 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.673 -0.642 . . . . 0.0 111.384 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -70.22 -39.44 75.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.881 0.872 . . . . 0.0 112.494 171.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -65.82 -32.44 73.96 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.526 -0.734 . . . . 0.0 111.84 170.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -65.7 -39.04 90.82 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.142 -0.974 . . . . 0.0 111.743 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.05 -42.61 94.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.793 0.837 . . . . 0.0 112.099 168.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.47 97.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.462 0.574 . . . . 0.0 111.762 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.22 -33.74 75.99 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.266 1.027 . . . . 0.0 112.327 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.19 -48.65 77.43 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.361 0.665 . . . . 0.0 111.41 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -62.53 -21.66 65.71 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.85 1.26 . . . . 0.0 114.262 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -70.5 -19.48 62.92 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.092 0.957 . . . . 0.0 113.546 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -117.11 -25.46 7.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.292 1.437 . . . . 0.0 114.533 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 53.67 46.24 26.35 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.377 1.871 . . . . 0.0 113.961 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.13 -0.27 31.0 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -174.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -96.9 142.46 28.85 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.108 1.363 . . . . 0.0 112.286 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.2 mm -134.15 134.11 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.351 1.86 . . . . 0.0 109.18 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.27 129.53 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.192 0.997 . . . . 0.0 110.117 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 58.8 p -109.9 -5.82 15.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.703 1.201 . . . . 0.0 114.131 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.097 1.759 . . . . 0.0 113.624 177.357 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.751 -0.54 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 47.0 p -76.48 156.96 32.57 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.871 1.268 . . . . 0.0 113.098 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -80.8 153.54 27.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.6 1.16 . . . . 0.0 112.252 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 63.75 -19.86 0.06 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 128.168 2.587 . . . . 0.0 117.572 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -62.86 129.26 39.66 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.029 1.286 . . . . 0.0 111.503 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 52.1 13.55 0.27 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.765 2.026 . . . . 0.0 115.938 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -69.95 -25.87 63.85 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 120.98 -1.075 . . . . 0.0 113.321 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 97.5 m -62.37 132.76 53.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.552 1.141 . . . . 0.0 110.011 169.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -68.15 -53.8 22.55 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.384 0.674 . . . . 0.0 111.695 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -149.92 159.17 44.59 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.484 1.514 . . . . 0.0 112.242 174.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -102.64 159.65 15.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.855 1.262 . . . . 0.0 111.737 172.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.3 m -62.19 -10.63 11.14 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -91.24 -42.23 10.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.347 1.059 . . . . 0.0 111.923 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -63.53 -42.95 98.4 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.33 -0.856 . . . . 0.0 111.683 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 mt -57.75 -32.69 67.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.95 1.3 . . . . 0.0 112.783 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.2 -38.4 69.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.356 0.662 . . . . 0.0 112.163 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -71.6 -33.27 68.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.649 -0.657 . . . . 0.0 112.008 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.76 -50.72 61.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 111.472 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.46 -25.16 63.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -47.74 31.25 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.912 0.778 . . . . 0.0 111.927 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -69.92 -26.48 64.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.253 -0.904 . . . . 0.0 112.458 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.99 -28.59 66.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.452 1.501 . . . . 0.0 112.783 170.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -72.12 -38.71 69.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.315 -0.866 . . . . 0.0 112.955 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.51 -25.25 25.2 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.482 1.113 . . . . 0.0 113.271 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -136.54 105.1 5.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.949 1.3 . . . . 0.0 110.46 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -86.24 -1.72 57.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -151.2 57.08 2.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.473 1.509 . . . . 0.0 113.416 -170.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -68.87 153.83 72.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.201 1.934 . . . . 0.0 112.483 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -120.49 178.11 4.79 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.441 2.296 . . . . 0.0 110.262 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.17 -29.24 8.87 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.782 -1.199 . . . . 0.0 114.022 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.6 m -83.19 -44.64 14.81 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.627 0.771 . . . . 0.0 112.366 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.79 -35.51 44.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.15 0.98 . . . . 0.0 112.935 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.89 -46.51 81.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.184 0.994 . . . . 0.0 111.329 169.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -62.6 -42.35 99.52 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.924 -0.485 . . . . 0.0 111.32 174.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.95 -30.29 63.92 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.53 -31.98 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.984 1.266 . . . . 0.0 112.144 172.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.64 63.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.423 1.089 . . . . 0.0 112.881 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.56 -33.47 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.741 2.416 . . . . 0.0 113.929 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -114.03 6.67 16.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.8 1.24 . . . . 0.0 113.371 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.7 p -115.73 6.08 14.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.87 1.268 . . . . 0.0 113.185 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 58.85 38.3 24.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.453 1.501 . . . . 0.0 113.78 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.0 -178.28 3.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.875 1.67 . . . . 0.0 111.567 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -132.22 164.88 25.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.618 1.567 . . . . 0.0 109.568 168.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -30.79 67.4 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.988 -1.07 . . . . 0.0 113.263 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.55 87.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.422 1.089 . . . . 0.0 112.275 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -61.72 -45.32 94.47 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.375 -0.828 . . . . 0.0 110.425 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -64.83 -45.57 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.888 0.475 . . . . 0.0 110.76 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -54.82 -49.06 71.94 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.004 1.321 . . . . 0.0 111.301 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.804 1.241 . . . . 0.0 111.607 177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.47 -45.54 86.91 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.551 0.614 . . . . 0.0 112.35 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -68.99 -34.4 75.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.543 1.137 . . . . 0.0 111.976 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttpt -65.84 -43.85 87.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.0 0.92 . . . . 0.0 111.635 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -61.75 -33.96 74.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.724 0.409 . . . . 0.0 111.495 169.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -41.76 89.89 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.335 -0.853 . . . . 0.0 113.183 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -61.0 -41.24 96.15 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.786 0.721 . . . . 0.0 111.725 171.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.52 -45.25 91.49 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.283 0.492 . . . . 0.0 111.72 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -66.81 -34.17 77.23 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.574 1.15 . . . . 0.0 112.519 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -63.81 -48.53 76.48 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.965 0.906 . . . . 0.0 111.455 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -62.99 -23.65 67.54 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -175.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -68.51 -22.78 64.51 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 169.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -115.94 -25.85 7.55 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.395 1.878 . . . . 0.0 113.748 -170.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 55.97 35.16 25.02 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.607 2.363 . . . . 0.0 114.271 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -75.33 -50.08 17.12 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -76.81 145.82 38.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.712 0.805 . . . . 0.0 110.975 171.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -138.28 134.4 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.145 1.778 . . . . 0.0 108.809 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 6.7 t -78.9 137.68 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.974 0.91 . . . . 0.0 110.406 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -87.73 -11.04 49.36 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -171.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.31 1.844 . . . . 0.0 113.204 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.1 t -70.2 138.08 51.46 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.837 0.855 . . . . 0.0 112.893 -176.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 55.75 20.81 4.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.723 2.009 . . . . 0.0 116.013 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -78.75 169.4 18.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.036 1.335 . . . . 0.0 113.022 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.02 158.46 42.65 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.108 1.763 . . . . 0.0 111.046 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -83.56 56.74 3.73 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.244 1.018 . . . . 0.0 112.587 -170.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 61.19 -48.09 0.12 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 128.989 2.916 . . . . 0.0 114.666 -169.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 15.4 t -76.06 172.92 11.97 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.359 1.464 . . . . 0.0 110.435 167.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -70.13 -6.22 32.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.381 1.472 . . . . 0.0 114.334 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -111.53 160.55 17.06 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.931 2.092 . . . . 0.0 112.253 -176.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -91.49 160.12 15.59 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.933 0.893 . . . . 0.0 110.929 174.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -57.64 -19.42 26.34 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -95.76 -39.18 9.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.298 1.039 . . . . 0.0 112.474 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -56.79 -42.82 80.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.439 1.018 . . . . 0.0 110.926 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.32 -33.21 65.39 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.486 1.115 . . . . 0.0 113.235 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -70.31 -41.97 72.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.489 0.716 . . . . 0.0 111.332 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.15 -35.03 75.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.696 0.399 . . . . 0.0 111.186 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.9 mt -66.81 -51.18 58.72 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.719 1.208 . . . . 0.0 111.568 175.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.76 -26.76 65.39 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -47.04 33.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.784 0.72 . . . . 0.0 111.925 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -70.27 -26.18 63.7 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.286 -0.884 . . . . 0.0 112.39 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.29 -25.71 65.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.27 1.428 . . . . 0.0 112.857 171.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -74.66 -38.49 62.44 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.141 -0.974 . . . . 0.0 113.129 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.55 -25.43 25.03 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.372 1.069 . . . . 0.0 113.26 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -135.81 105.02 5.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.072 1.349 . . . . 0.0 109.745 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -84.42 -9.0 58.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -150.04 63.46 6.25 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.925 1.29 . . . . 0.0 112.423 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -67.69 151.8 78.64 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.671 2.248 . . . . 0.0 112.881 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.77 177.74 4.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.386 2.274 . . . . 0.0 110.561 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.22 -29.63 5.94 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -85.17 -43.89 13.42 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 0.0 112.277 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.44 -35.19 40.82 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.935 0.894 . . . . 0.0 113.112 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -56.12 -48.23 76.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.362 0.983 . . . . 0.0 111.058 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.89 -41.53 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.002 -0.436 . . . . 0.0 111.579 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.69 -30.93 63.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.43 -32.63 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.829 1.195 . . . . 0.0 111.861 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.61 -28.08 62.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.655 1.182 . . . . 0.0 113.059 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.55 -34.83 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 127.862 2.465 . . . . 0.0 113.971 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -112.75 5.95 17.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.77 1.228 . . . . 0.0 113.296 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -115.18 5.72 14.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.891 1.276 . . . . 0.0 113.151 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 58.45 41.98 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.657 1.583 . . . . 0.0 113.821 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.4 mt -118.42 -177.47 3.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.411 1.884 . . . . 0.0 111.568 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -132.69 165.31 24.78 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.862 1.665 . . . . 0.0 109.648 168.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.92 -30.11 67.58 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.599 -1.313 . . . . 0.0 113.742 -172.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.09 91.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.011 0.924 . . . . 0.0 111.981 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -60.54 -45.3 94.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.798 0.839 . . . . 0.0 111.23 172.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.51 -46.58 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.072 0.549 . . . . 0.0 110.272 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 ttt-85 -61.38 -42.1 98.18 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.944 0.897 . . . . 0.0 112.416 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.834 1.253 . . . . 0.0 111.447 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -63.89 -46.39 85.09 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.45 -0.781 . . . . 0.0 111.896 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -66.04 -31.14 71.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.993 0.917 . . . . 0.0 112.148 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.52 -47.5 78.62 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.348 1.059 . . . . 0.0 111.318 169.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -67.22 -33.04 74.51 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.802 -0.561 . . . . 0.0 111.846 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -37.83 76.21 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.752 1.221 . . . . 0.0 113.171 172.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -59.58 -40.44 87.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.79 0.836 . . . . 0.0 112.031 169.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.02 92.87 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 172.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -37.25 86.76 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.08 0.855 . . . . 0.0 112.191 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -63.12 -47.3 83.39 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.306 1.042 . . . . 0.0 111.67 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -61.99 -24.46 67.04 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -69.28 -22.78 63.79 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 170.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -116.55 -25.25 7.49 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.454 1.902 . . . . 0.0 113.782 -169.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 55.42 37.82 29.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.162 2.185 . . . . 0.0 113.733 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.84 -40.34 83.73 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.899 0.88 . . . . 0.0 113.219 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -97.57 144.92 26.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.549 1.54 . . . . 0.0 110.28 169.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 55.2 mt -139.8 132.37 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 108.757 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 50.7 t -76.97 131.75 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.081 0.952 . . . . 0.0 110.453 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 48.5 p -102.63 -10.74 18.99 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.915 1.686 . . . . 0.0 113.83 177.875 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . 0.273 79.2 p 44.1 -101.35 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.227 2.211 . . . . 0.0 115.32 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -137.65 156.51 47.96 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.937 1.695 . . . . 0.0 112.337 -174.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -80.2 -21.74 42.61 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 49.12 27.11 1.64 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 126.553 1.941 . . . . 0.0 114.109 -172.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 54.38 24.74 5.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.321 2.249 . . . . 0.0 115.457 -171.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -88.01 -38.14 15.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.212 1.005 . . . . 0.0 113.304 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 57.2 m -143.74 133.96 24.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.464 1.506 . . . . 0.0 110.066 -176.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -115.43 0.97 13.57 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.832 1.253 . . . . 0.0 114.368 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -102.4 170.62 7.95 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.468 1.907 . . . . 0.0 110.283 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -96.54 157.87 15.7 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.305 -0.872 . . . . 0.0 110.579 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -63.31 -6.86 5.12 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -99.45 -41.02 7.58 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.495 1.518 . . . . 0.0 112.426 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -58.73 -44.55 90.48 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.335 0.97 . . . . 0.0 111.172 178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 mt -54.65 -33.32 60.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.876 1.27 . . . . 0.0 113.438 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -70.13 -41.28 74.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.482 0.713 . . . . 0.0 111.376 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -71.37 -32.24 68.26 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.994 0.518 . . . . 0.0 111.599 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.99 -51.02 60.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.184 0.994 . . . . 0.0 111.539 174.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.92 -24.9 63.44 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -45.56 31.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.748 0.703 . . . . 0.0 112.025 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -24.75 62.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.05 -1.031 . . . . 0.0 112.232 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -59.73 -23.38 63.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.598 1.559 . . . . 0.0 112.681 169.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -77.12 -38.72 51.52 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.113 -0.992 . . . . 0.0 113.125 176.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.42 -25.57 33.56 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.621 1.168 . . . . 0.0 112.873 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -140.53 109.38 6.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.81 1.244 . . . . 0.0 110.553 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -92.08 -0.13 57.46 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.987 0.915 . . . . 0.0 112.788 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -151.56 51.25 0.77 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.704 1.602 . . . . 0.0 113.279 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -67.8 148.89 77.95 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.995 1.797 . . . . 0.0 112.834 -174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -115.06 179.48 3.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.512 2.325 . . . . 0.0 110.452 -172.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ptm -52.53 -26.21 12.5 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.548 -1.345 . . . . 0.0 114.225 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.1 t -85.8 -46.09 10.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.984 0.914 . . . . 0.0 111.988 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -32.88 46.46 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.161 -0.962 . . . . 0.0 113.595 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -60.03 -44.81 94.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.669 -1.27 . . . . 0.0 111.578 168.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.79 -42.2 98.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.01 -0.432 . . . . 0.0 111.811 171.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.1 -39.0 63.08 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.805 0.842 . . . . 0.0 112.894 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.04 -32.84 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.963 0.801 . . . . 0.0 111.439 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.87 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.376 1.07 . . . . 0.0 112.809 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.57 -30.2 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.258 2.223 . . . . 0.0 114.055 -171.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -117.06 6.85 12.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.976 1.31 . . . . 0.0 113.463 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.09 5.99 15.04 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.649 1.179 . . . . 0.0 113.322 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.04 41.35 24.3 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.294 1.438 . . . . 0.0 113.07 -176.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -116.61 179.34 4.03 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.987 1.715 . . . . 0.0 111.351 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.34 161.94 25.89 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.064 1.346 . . . . 0.0 109.441 167.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -28.33 67.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.705 -1.247 . . . . 0.0 113.334 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.53 86.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.426 1.09 . . . . 0.0 112.561 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -59.92 -44.67 94.18 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.271 0.941 . . . . 0.0 110.978 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.44 -44.35 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.196 0.598 . . . . 0.0 110.465 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -57.28 -48.02 79.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.476 1.111 . . . . 0.0 111.64 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.51 -44.98 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.865 1.266 . . . . 0.0 111.53 177.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -64.47 -47.34 79.34 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.388 0.54 . . . . 0.0 111.618 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -65.37 -33.0 74.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.418 0.687 . . . . 0.0 112.116 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -66.19 -45.14 81.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.22 0.608 . . . . 0.0 111.317 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -64.73 -37.2 86.78 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.78 0.432 . . . . 0.0 111.832 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -69.39 -36.59 76.92 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.148 -0.97 . . . . 0.0 113.404 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -65.98 -41.78 90.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.055 1.342 . . . . 0.0 111.857 170.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.68 98.42 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 122.423 0.289 . . . . 0.0 111.47 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.32 -37.11 77.58 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.185 0.994 . . . . 0.0 112.574 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -56.78 -44.86 82.29 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.534 0.734 . . . . 0.0 111.247 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.63 -26.14 68.54 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -76.6 -35.38 58.16 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.462 1.028 . . . . 0.0 112.13 169.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -85.16 -29.23 24.93 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.85 1.66 . . . . 0.0 113.997 -174.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 49.52 51.52 16.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.744 2.018 . . . . 0.0 112.387 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.33 -19.47 61.85 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.889 1.676 . . . . 0.0 115.047 -171.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -129.08 137.89 51.52 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.749 1.62 . . . . 0.0 111.712 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -138.75 136.64 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 127.032 2.133 . . . . 0.0 108.166 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.44 126.33 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.686 0.794 . . . . 0.0 110.314 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 40.6 p -101.54 -14.4 17.49 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 C--O 1.255 1.362 0 C-N-CA 127.817 2.447 . . . . 0.0 114.872 178.713 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 33.6 t -76.05 151.36 37.14 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.988 0.915 . . . . 0.0 112.883 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -79.27 -10.9 59.92 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.756 1.222 . . . . 0.0 112.52 171.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 36.2 mtp-105 -83.88 55.13 3.14 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.874 1.67 . . . . 0.0 111.828 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . 0.418 ' HG3' ' H ' ' P' ' 5' ' ' ARG . 38.2 ptt85 -132.28 -171.43 2.64 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.604 1.962 . . . . 0.0 112.167 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -70.4 -17.23 63.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.156 1.382 . . . . 0.0 113.434 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . 0.418 ' H ' ' HG3' ' P' ' 3' ' ' ARG . 98.3 mtt180 62.73 17.23 9.64 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.121 2.568 . . . . 0.0 115.194 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.98 144.99 55.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.193 1.397 . . . . 0.0 110.807 171.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -112.49 3.22 16.7 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.903 1.281 . . . . 0.0 113.874 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -147.77 170.22 18.05 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.3 2.64 . . . . 0.0 110.259 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.3 p -98.41 159.14 15.14 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.962 0.905 . . . . 0.0 111.142 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.8 m -61.29 -11.15 8.59 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -96.34 -40.67 9.01 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.33 1.452 . . . . 0.0 112.509 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.27 -43.43 96.19 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.319 -0.863 . . . . 0.0 111.491 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.8 -32.87 60.8 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.282 176.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -68.52 -40.4 80.8 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.467 0.707 . . . . 0.0 111.536 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -74.68 -29.75 61.33 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.334 0.654 . . . . 0.0 112.047 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.76 -49.49 58.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.722 1.209 . . . . 0.0 111.133 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.55 -25.0 63.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.1 -46.98 39.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.904 0.775 . . . . 0.0 112.284 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.8 t -70.59 -26.2 63.41 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.948 -1.095 . . . . 0.0 112.569 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -58.18 -26.29 62.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.399 1.48 . . . . 0.0 112.392 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -73.26 -40.61 64.48 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.377 -0.827 . . . . 0.0 112.97 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -82.22 -27.81 32.31 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.634 0.774 . . . . 0.0 112.784 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -139.98 102.14 4.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.002 1.321 . . . . 0.0 110.128 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -79.52 -14.11 59.09 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -152.25 70.09 7.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 125.411 1.484 . . . . 0.0 111.827 -175.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.61 170.04 14.63 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.131 2.554 . . . . 0.0 113.202 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.6 171.32 11.75 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.274 2.23 . . . . 0.0 109.398 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 24.7 ptm -49.05 -37.04 19.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.395 1.452 . . . . 0.0 113.892 -172.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.3 m -70.81 -38.08 73.29 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.678 0.791 . . . . 0.0 112.614 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.66 -33.45 27.74 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.492 1.117 . . . . 0.0 112.766 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -62.24 -43.67 98.29 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.793 1.237 . . . . 0.0 111.74 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.41 -41.5 98.74 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.784 -0.572 . . . . 0.0 111.699 171.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -54.07 -36.72 63.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.472 0.709 . . . . 0.0 112.875 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.75 -31.44 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.257 0.935 . . . . 0.0 111.915 177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -28.48 63.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.542 1.137 . . . . 0.0 112.915 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.16 -31.0 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 127.329 2.252 . . . . 0.0 114.147 -172.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p-90 -116.28 7.12 13.92 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.031 1.332 . . . . 0.0 113.513 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -115.45 6.45 14.75 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.725 1.21 . . . . 0.0 113.381 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 t30 58.09 40.72 24.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.438 1.495 . . . . 0.0 113.601 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.76 -178.71 3.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.995 1.718 . . . . 0.0 111.407 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -130.84 163.94 26.29 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.742 1.617 . . . . 0.0 109.212 168.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -30.88 66.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.961 -1.087 . . . . 0.0 113.162 -171.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.7 82.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.769 1.228 . . . . 0.0 112.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -62.07 -44.46 96.64 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.178 -0.951 . . . . 0.0 110.492 171.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -64.9 -41.82 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.368 0.667 . . . . 0.0 110.619 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -59.18 -46.23 88.96 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.332 . . . . 0.0 112.186 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.96 -44.85 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.238 1.015 . . . . 0.0 111.691 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -63.21 -49.43 74.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.63 0.65 . . . . 0.0 111.939 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.71 -32.16 72.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.901 -0.499 . . . . 0.0 111.87 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -66.7 -35.91 81.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.962 0.905 . . . . 0.0 111.974 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -72.3 -42.33 65.62 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.23 0.468 . . . . 0.0 111.702 168.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -63.44 -38.84 92.69 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.111 -0.993 . . . . 0.0 113.278 -175.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -34.51 75.98 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.557 0.743 . . . . 0.0 112.591 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.11 -32.25 71.52 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.226 0.61 . . . . 0.0 112.348 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.94 -39.2 35.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.734 1.214 . . . . 0.0 112.898 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.75 -43.17 76.41 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.395 1.478 . . . . 0.0 112.45 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.37 -22.26 64.79 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -79.85 -24.1 41.5 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.424 1.09 . . . . 0.0 112.777 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -100.23 -29.34 12.52 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.334 1.854 . . . . 0.0 113.473 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 53.06 49.54 19.86 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.103 1.761 . . . . 0.0 112.642 -176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -63.28 -20.37 65.41 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.38 1.472 . . . . 0.0 114.717 -173.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -91.02 119.33 31.11 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.796 1.239 . . . . 0.0 111.094 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 54.7 mt -136.19 138.04 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.61 1.564 . . . . 0.0 109.489 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 t -134.24 134.52 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.532 1.533 . . . . 0.0 109.679 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 9.3 m -87.87 -28.51 21.54 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.537 1.535 . . . . 0.0 113.952 179.555 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 8.0 t -78.02 161.1 27.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.047 0.939 . . . . 0.0 112.775 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -69.5 136.46 51.47 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.765 1.226 . . . . 0.0 111.84 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -85.34 156.63 20.82 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.812 1.245 . . . . 0.0 112.756 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 50.45 -134.29 1.55 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.381 1.472 . . . . 0.0 110.722 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -126.93 34.09 4.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.264 1.825 . . . . 0.0 110.712 169.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 59.78 -66.63 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 128.42 2.688 . . . . 0.0 114.624 -169.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 49.8 m -63.6 131.43 47.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.396 1.478 . . . . 0.0 111.915 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -87.09 -56.08 3.54 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.766 1.226 . . . . 0.0 111.023 171.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -145.92 163.85 33.83 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.8 2.04 . . . . 0.0 111.0 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -98.29 160.36 14.34 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.37 1.068 . . . . 0.0 110.901 170.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -57.08 -20.16 23.57 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -94.76 -38.94 10.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 112.649 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -57.55 -41.11 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.43 1.013 . . . . 0.0 111.11 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.34 -32.59 66.88 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.817 1.247 . . . . 0.0 113.283 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -69.88 -40.53 75.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.511 0.724 . . . . 0.0 111.203 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.78 -35.08 74.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.855 0.462 . . . . 0.0 111.335 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.42 -50.25 64.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.73 1.212 . . . . 0.0 111.382 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.37 -22.78 62.73 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.61 -45.56 29.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.587 0.755 . . . . 0.0 112.272 172.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -25.54 62.4 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.996 -1.065 . . . . 0.0 112.208 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.67 -28.0 63.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.687 1.595 . . . . 0.0 112.422 169.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.39 -36.65 71.48 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.315 -0.866 . . . . 0.0 113.019 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -84.01 -28.02 27.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 112.825 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -141.51 106.75 4.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.186 . . . . 0.0 111.043 -172.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -85.39 -7.05 59.15 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -152.72 64.44 5.36 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 124.876 1.27 . . . . 0.0 112.216 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -67.49 151.95 79.25 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.78 2.32 . . . . 0.0 112.795 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -114.01 178.07 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.121 2.168 . . . . 0.0 110.609 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.9 ptm -51.39 -27.92 11.3 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.75 -1.219 . . . . 0.0 114.026 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -85.07 -43.85 13.54 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.767 0.827 . . . . 0.0 112.208 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.7 -33.62 40.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.954 0.902 . . . . 0.0 113.205 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.3 mtm-85 -60.02 -45.41 92.9 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.094 -1.004 . . . . 0.0 111.972 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.48 -42.99 99.62 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.032 -0.417 . . . . 0.0 111.643 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.04 -34.34 63.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -32.81 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.173 0.897 . . . . 0.0 111.807 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.56 68.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.442 1.097 . . . . 0.0 112.72 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -60.94 -31.28 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 127.325 2.25 . . . . 0.0 114.198 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -115.88 6.12 14.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.901 1.281 . . . . 0.0 113.522 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -113.85 5.74 16.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.705 1.202 . . . . 0.0 113.497 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.2 t30 57.92 40.31 25.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.334 1.454 . . . . 0.0 113.521 -175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -115.66 179.25 4.03 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.855 1.662 . . . . 0.0 111.271 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -126.57 161.54 27.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.085 1.354 . . . . 0.0 108.951 167.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -28.2 66.95 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.045 -1.034 . . . . 0.0 113.319 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.2 85.27 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.625 1.17 . . . . 0.0 112.688 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -60.72 -45.4 94.38 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.187 -0.946 . . . . 0.0 110.312 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -65.26 -43.37 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.362 0.665 . . . . 0.0 110.676 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -57.6 -46.08 84.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.89 1.276 . . . . 0.0 111.435 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.07 -46.01 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.42 1.088 . . . . 0.0 111.446 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -63.67 -48.49 76.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.541 0.61 . . . . 0.0 111.773 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -69.68 -22.9 63.39 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -73.47 -41.99 62.46 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.259 0.936 . . . . 0.0 111.321 169.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -68.71 -36.11 78.02 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -64.37 -35.78 82.01 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -169.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -74.8 -33.03 62.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.823 0.849 . . . . 0.0 112.749 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.72 95.24 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.81 -0.556 . . . . 0.0 110.995 169.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.29 -34.4 74.66 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.048 0.939 . . . . 0.0 112.137 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -58.74 -46.24 87.85 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.891 0.769 . . . . 0.0 110.669 169.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -64.27 -27.57 69.13 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -69.65 -40.91 76.21 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.974 0.91 . . . . 0.0 112.372 169.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -88.86 -29.88 19.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.377 1.471 . . . . 0.0 114.204 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 53.6 48.47 21.57 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.544 2.338 . . . . 0.0 113.049 -169.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.59 -31.82 70.96 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.524 1.53 . . . . 0.0 112.955 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -132.03 142.68 49.65 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.109 2.164 . . . . 0.0 110.373 174.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mt -139.05 133.33 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.299 1.839 . . . . 0.0 108.255 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.09 129.65 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.648 0.779 . . . . 0.0 110.372 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -110.89 -7.93 14.54 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.706 1.202 . . . . 0.0 114.049 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.683 1.593 . . . . 0.0 113.849 178.562 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.451 -0.659 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 17.4 m -71.36 -20.49 62.15 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.65 150.58 46.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.172 0.989 . . . . 0.0 112.291 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -110.06 -13.4 14.4 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.434 1.494 . . . . 0.0 113.452 170.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -141.79 158.67 43.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.84 2.056 . . . . 0.0 112.113 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -130.02 120.34 24.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.586 1.954 . . . . 0.0 109.15 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -69.49 137.79 52.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.669 1.188 . . . . 0.0 111.707 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 60.2 m -94.2 122.83 37.14 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.642 1.177 . . . . 0.0 110.541 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -92.89 -19.26 21.85 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -72.21 157.36 37.87 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.556 1.142 . . . . 0.0 112.457 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -97.28 158.16 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.197 0.999 . . . . 0.0 111.392 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.5 m -61.83 -8.4 4.84 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.45 -41.26 7.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.331 1.452 . . . . 0.0 112.422 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.21 0.913 . . . . 0.0 111.6 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.35 -32.08 64.36 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.01 1.324 . . . . 0.0 112.993 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -69.58 -41.11 76.23 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.614 0.766 . . . . 0.0 111.436 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.34 -32.6 66.64 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.241 0.616 . . . . 0.0 111.684 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.24 -52.06 51.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.32 1.048 . . . . 0.0 111.249 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.87 -22.82 62.25 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 -44.18 30.74 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.123 0.874 . . . . 0.0 112.134 172.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.69 -24.85 60.01 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.127 -0.983 . . . . 0.0 112.513 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -54.45 -32.73 58.19 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.379 1.472 . . . . 0.0 111.565 168.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.38 -37.84 80.79 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -85.62 -27.3 25.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.212 1.005 . . . . 0.0 113.196 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -143.34 100.75 3.68 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.287 1.435 . . . . 0.0 110.023 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.02 -13.38 59.82 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.428 0.691 . . . . 0.0 112.72 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -148.69 66.58 9.04 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.09 1.356 . . . . 0.0 111.957 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -65.59 156.38 64.01 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.223 2.616 . . . . 0.0 112.577 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -115.22 175.63 5.42 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.15 2.18 . . . . 0.0 110.457 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.37 -29.96 7.01 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -82.96 -43.45 16.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.578 0.751 . . . . 0.0 112.572 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -34.54 52.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.958 0.903 . . . . 0.0 112.718 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.98 -47.01 81.78 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.827 1.251 . . . . 0.0 111.069 169.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.02 -41.12 97.54 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 122.115 -0.366 . . . . 0.0 111.222 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -30.48 63.6 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.81 -32.59 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.965 1.257 . . . . 0.0 112.01 172.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.4 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.513 1.125 . . . . 0.0 112.927 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.54 -32.94 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.656 2.382 . . . . 0.0 113.988 -173.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.16 6.75 15.17 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.819 1.248 . . . . 0.0 113.377 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 74.6 p -116.3 5.27 13.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.926 1.291 . . . . 0.0 113.157 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.51 42.07 21.55 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.503 1.521 . . . . 0.0 113.324 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -116.01 -176.37 2.93 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.07 1.748 . . . . 0.0 111.369 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -133.33 166.18 23.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.551 1.54 . . . . 0.0 110.04 169.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -35.4 64.15 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.138 -0.977 . . . . 0.0 112.759 -173.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.82 81.77 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.735 1.214 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -63.05 -43.6 98.19 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.329 -0.857 . . . . 0.0 111.107 173.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.9 t -67.2 -43.98 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.476 -0.297 . . . . 0.0 110.66 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -54.82 -49.7 70.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.492 1.117 . . . . 0.0 111.561 173.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -43.76 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.97 1.308 . . . . 0.0 111.518 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -65.3 -47.44 76.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.93 0.786 . . . . 0.0 111.913 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -66.85 -25.27 66.34 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -74.3 -44.07 54.17 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.077 0.951 . . . . 0.0 111.934 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -68.21 -24.79 64.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.399 0.68 . . . . 0.0 112.804 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -64.62 -29.84 70.85 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.079 -1.013 . . . . 0.0 112.892 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -62.43 -42.7 99.65 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.752 0.821 . . . . 0.0 112.207 170.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.42 -28.69 70.15 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -82.73 -35.63 26.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.582 1.153 . . . . 0.0 113.164 173.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -60.67 -45.71 93.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.277 1.431 . . . . 0.0 112.339 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -60.99 -23.49 65.42 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -172.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -79.94 -22.32 42.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.678 1.191 . . . . 0.0 112.842 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -109.17 -24.69 11.01 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.704 2.002 . . . . 0.0 113.205 -170.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 54.21 41.73 31.86 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.757 2.023 . . . . 0.0 112.891 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -61.68 -30.34 70.67 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.479 1.512 . . . . 0.0 113.555 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -137.15 153.14 50.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.038 2.135 . . . . 0.0 110.421 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.5 mm -134.59 132.52 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.984 1.714 . . . . 0.0 108.537 176.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.31 129.17 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.964 0.906 . . . . 0.0 110.635 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 53.3 p -107.06 -9.56 16.16 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.977 1.311 . . . . 0.0 114.198 -177.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.015 1.726 . . . . 0.0 113.882 178.579 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.559 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 32.8 m -67.03 150.27 49.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.524 1.13 . . . . 0.0 113.125 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -135.07 158.5 44.2 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.586 1.555 . . . . 0.0 111.707 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -142.56 163.38 32.97 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.811 1.644 . . . . 0.0 112.434 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -70.46 155.89 40.1 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.719 1.208 . . . . 0.0 111.713 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -80.26 66.57 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.842 1.257 . . . . 0.0 111.376 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 53.81 -90.64 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.611 2.364 . . . . 0.0 113.66 -176.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 23.2 m -139.86 131.54 27.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.79 1.636 . . . . 0.0 109.831 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -82.18 -13.83 56.54 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -116.05 157.89 23.99 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.999 1.72 . . . . 0.0 111.302 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -94.26 157.79 15.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 0.0 111.46 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -61.67 -8.28 4.39 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -98.25 -42.35 7.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.292 1.437 . . . . 0.0 112.404 172.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.11 -43.67 91.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.189 0.904 . . . . 0.0 111.393 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.76 -31.52 62.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.245 1.418 . . . . 0.0 113.3 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -71.02 -42.47 69.53 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.291 0.637 . . . . 0.0 111.33 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -70.4 -34.3 72.37 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.147 0.579 . . . . 0.0 111.645 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.45 -51.09 62.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.537 1.135 . . . . 0.0 111.7 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -74.04 -19.98 60.45 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.23 -47.81 26.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.757 0.823 . . . . 0.0 112.167 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -69.66 -25.45 63.91 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.915 -1.116 . . . . 0.0 112.48 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.32 -25.39 61.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.635 1.574 . . . . 0.0 112.577 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -75.52 -38.63 59.26 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.384 -0.823 . . . . 0.0 113.05 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -82.99 -27.41 30.44 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.682 0.793 . . . . 0.0 112.834 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -139.76 104.52 4.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.744 1.218 . . . . 0.0 110.236 -174.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -85.47 -7.43 58.92 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -152.21 65.13 5.96 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.362 1.465 . . . . 0.0 111.71 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -67.85 155.35 70.16 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.641 2.228 . . . . 0.0 112.915 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -116.65 179.3 4.05 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.667 1.987 . . . . 0.0 110.693 -171.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.9 ptm -50.5 -31.46 15.46 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.56 -1.338 . . . . 0.0 113.744 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.6 m -82.84 -43.83 16.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.673 0.789 . . . . 0.0 111.822 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.84 34.09 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -59.47 -44.57 93.0 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.539 1.063 . . . . 0.0 111.843 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.52 -42.21 98.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.265 0.484 . . . . 0.0 111.723 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.15 -37.34 64.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.846 0.748 . . . . 0.0 112.851 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.0 -32.66 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.238 0.926 . . . . 0.0 111.824 177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.92 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.395 1.078 . . . . 0.0 112.798 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.13 -30.89 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 127.266 2.226 . . . . 0.0 114.104 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -116.71 7.29 13.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.983 1.313 . . . . 0.0 113.52 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -115.0 6.51 15.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.683 1.193 . . . . 0.0 113.267 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.83 39.47 23.96 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.479 1.512 . . . . 0.0 113.167 -177.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.7 -178.79 3.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.071 1.749 . . . . 0.0 111.273 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -129.88 164.78 23.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.328 1.451 . . . . 0.0 109.91 168.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 -29.17 65.56 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.894 -1.128 . . . . 0.0 113.802 -173.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.11 78.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.435 1.094 . . . . 0.0 112.098 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -58.32 -43.99 88.43 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 0.0 111.119 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.01 -46.24 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 122.894 0.478 . . . . 0.0 110.644 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -60.32 -44.6 95.32 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.832 0.742 . . . . 0.0 112.301 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.74 -44.07 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.126 0.97 . . . . 0.0 111.585 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -64.82 -48.28 74.97 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.86 -0.525 . . . . 0.0 111.767 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -62.61 -33.53 75.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.759 0.823 . . . . 0.0 112.323 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.51 -48.26 73.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.645 0.778 . . . . 0.0 111.174 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -63.82 -38.36 90.82 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.823 0.449 . . . . 0.0 111.606 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -68.66 -38.47 80.44 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.428 -0.795 . . . . 0.0 112.777 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -62.29 -42.29 99.23 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.727 0.811 . . . . 0.0 111.967 171.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.93 73.03 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -80.55 -36.48 32.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.793 1.237 . . . . 0.0 113.085 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -53.7 -44.39 69.75 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.081 1.752 . . . . 0.0 111.231 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -61.18 -20.67 63.01 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -89.77 -10.32 46.0 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.804 1.641 . . . . 0.0 113.865 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -128.35 -14.86 4.72 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.588 1.555 . . . . 0.0 114.326 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 52.7 47.52 24.5 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.023 2.129 . . . . 0.0 112.577 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.16 -32.4 62.1 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.24 1.416 . . . . 0.0 113.427 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -133.49 149.53 51.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.394 2.278 . . . . 0.0 110.125 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 45.6 mm -120.78 127.88 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.389 1.476 . . . . 0.0 109.497 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 6.5 t -83.67 138.83 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.182 0.993 . . . . 0.0 110.0 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 46.5 p -101.96 9.86 40.17 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 -169.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.088 1.755 . . . . 0.0 114.799 -179.251 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 49.7 m -136.71 150.09 48.25 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.069 1.348 . . . . 0.0 112.321 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -66.27 -33.73 76.41 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.132 0.973 . . . . 0.0 113.396 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 58.36 7.31 0.67 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 127.232 2.213 . . . . 0.0 115.875 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -69.42 141.09 54.15 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.971 1.308 . . . . 0.0 110.626 174.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -88.07 -12.9 42.86 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -172.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 53.02 22.32 2.42 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 127.119 2.168 . . . . 0.0 115.791 172.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 97.9 m -94.84 131.09 41.1 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.799 1.239 . . . . 0.0 110.992 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.96 -26.93 22.41 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.202 1.001 . . . . 0.0 113.373 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -80.93 160.81 24.57 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.792 1.237 . . . . 0.0 112.604 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -98.3 158.27 15.67 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.219 1.008 . . . . 0.0 111.365 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -61.78 -9.44 6.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -97.46 -41.33 8.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.284 1.434 . . . . 0.0 112.472 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -59.95 -43.2 95.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.155 0.889 . . . . 0.0 111.571 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.8 mt -55.99 -31.36 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.093 1.357 . . . . 0.0 113.133 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -70.84 -42.44 70.17 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.389 0.675 . . . . 0.0 111.433 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.66 -34.46 72.05 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.094 0.558 . . . . 0.0 111.641 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.91 -51.87 59.57 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.488 1.115 . . . . 0.0 111.536 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.47 -23.43 61.04 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -46.24 32.61 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.83 0.741 . . . . 0.0 112.117 173.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -69.93 -27.98 65.21 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.238 -0.914 . . . . 0.0 112.176 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.11 -27.08 63.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.48 1.512 . . . . 0.0 112.976 170.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.15 -39.37 65.73 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.173 -0.955 . . . . 0.0 113.038 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -86.82 -23.96 25.15 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.416 1.086 . . . . 0.0 113.541 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -137.33 103.69 5.16 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.972 1.309 . . . . 0.0 110.135 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -80.2 -13.05 59.55 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.04 64.57 7.57 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 125.069 1.348 . . . . 0.0 113.033 -174.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.03 169.17 15.54 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.69 2.26 . . . . 0.0 112.155 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -140.31 -173.3 3.63 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.56 1.544 . . . . 0.0 110.724 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -48.87 -29.58 4.83 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -81.71 -34.76 30.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.76 0.709 . . . . 0.0 112.88 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.36 -34.79 14.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.689 1.196 . . . . 0.0 113.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -62.15 -43.01 99.78 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.807 1.643 . . . . 0.0 111.89 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -63.4 -42.94 98.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.446 0.566 . . . . 0.0 111.004 171.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.1 -31.89 65.74 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.04 -32.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 120.118 1.327 . . . . 0.0 112.261 172.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.75 -28.81 64.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.27 -33.31 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.868 2.467 . . . . 0.0 114.01 -173.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -114.94 7.14 15.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.804 1.241 . . . . 0.0 113.329 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -115.56 6.21 14.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.828 1.251 . . . . 0.0 113.233 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 58.25 40.95 24.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.589 1.556 . . . . 0.0 113.798 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.95 -177.92 3.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.12 1.768 . . . . 0.0 111.564 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -130.55 163.42 27.12 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.535 1.534 . . . . 0.0 109.375 167.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -32.38 68.3 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.966 -1.084 . . . . 0.0 113.192 -170.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.05 89.27 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.561 1.144 . . . . 0.0 112.344 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -61.0 -44.78 96.93 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.411 -0.806 . . . . 0.0 110.924 172.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.99 -42.31 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.133 0.573 . . . . 0.0 110.548 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -62.41 -44.85 95.45 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.637 1.175 . . . . 0.0 112.225 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.3 t -62.83 -44.26 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.784 1.234 . . . . 0.0 111.56 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -64.51 -48.64 74.38 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.463 0.574 . . . . 0.0 111.852 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.09 -33.52 76.23 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.955 0.502 . . . . 0.0 111.662 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -67.06 -38.7 86.26 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 111.858 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -69.07 -44.48 72.47 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.536 0.335 . . . . 0.0 111.9 169.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -62.01 -41.78 98.45 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.202 -0.936 . . . . 0.0 112.655 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -69.38 -31.52 69.97 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.67 0.668 . . . . 0.0 112.647 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.9 -30.82 65.78 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -79.3 -38.62 34.88 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.835 1.254 . . . . 0.0 112.987 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -55.33 -45.16 76.39 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.494 1.517 . . . . 0.0 112.184 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -61.21 -22.77 65.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -174.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -74.25 -25.2 59.49 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.336 1.055 . . . . 0.0 112.983 174.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -113.76 -21.85 10.49 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.537 1.535 . . . . 0.0 113.928 -174.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 55.35 40.35 31.43 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.064 1.746 . . . . 0.0 113.014 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -64.25 -25.81 68.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.655 1.182 . . . . 0.0 113.766 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -124.25 144.4 49.99 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.597 1.959 . . . . 0.0 110.278 171.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mp -131.71 132.27 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.493 1.517 . . . . 0.0 110.03 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.18 127.74 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.254 1.022 . . . . 0.0 109.765 173.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 70.0 p -117.84 -2.77 11.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.754 1.222 . . . . 0.0 114.185 -174.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.99 1.716 . . . . 0.0 113.919 178.149 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 28.5 p -87.94 3.86 47.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 51.63 57.25 6.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.142 1.777 . . . . 0.0 113.504 170.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 81.6 mtm-85 -82.71 8.11 13.03 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.584 1.554 . . . . 0.0 115.063 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -56.64 131.09 47.96 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.569 1.547 . . . . 0.0 111.808 -177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -95.49 -7.88 36.88 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -129.72 152.86 48.77 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.773 1.629 . . . . 0.0 112.489 -175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -88.36 157.81 18.6 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.316 1.446 . . . . 0.0 112.4 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.63 -0.88 57.81 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.448 1.499 . . . . 0.0 113.37 174.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -106.56 163.17 13.1 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.044 1.737 . . . . 0.0 111.63 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -93.27 157.54 16.2 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.392 0.677 . . . . 0.0 111.111 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -62.56 -7.62 4.99 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -98.81 -41.7 7.52 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.256 1.422 . . . . 0.0 112.4 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -58.88 -44.1 91.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.304 0.956 . . . . 0.0 111.27 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -31.87 62.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.122 1.369 . . . . 0.0 113.337 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -71.72 -41.96 67.91 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.387 0.675 . . . . 0.0 111.436 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -70.36 -34.3 72.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.048 0.539 . . . . 0.0 111.555 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.5 mt -65.12 -51.89 58.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.45 1.1 . . . . 0.0 111.562 173.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.38 -20.69 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.39 -47.81 25.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.661 0.784 . . . . 0.0 112.024 170.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.039 -1.038 . . . . 0.0 112.327 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -58.02 -28.42 64.45 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.887 1.675 . . . . 0.0 112.905 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -72.31 -38.89 68.59 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.391 -0.818 . . . . 0.0 112.95 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -86.77 -25.59 24.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.463 1.105 . . . . 0.0 113.312 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -138.43 101.63 4.42 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.145 1.378 . . . . 0.0 109.845 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.3 -12.56 59.94 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 -176.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -150.32 65.67 7.36 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.089 1.356 . . . . 0.0 112.033 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.68 152.07 82.75 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.055 2.503 . . . . 0.0 112.497 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -109.06 175.83 5.31 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.82 2.048 . . . . 0.0 110.046 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.7 ptm -49.63 -35.45 21.18 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.976 1.262 . . . . 0.0 113.006 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.3 m -75.88 -42.09 50.21 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.677 -0.64 . . . . 0.0 112.483 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.27 -34.29 37.12 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.827 0.851 . . . . 0.0 112.903 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -60.67 -44.74 96.12 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.558 1.143 . . . . 0.0 111.756 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.12 -43.57 98.68 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.245 0.475 . . . . 0.0 111.332 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.96 -30.58 66.11 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -32.23 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.895 1.225 . . . . 0.0 112.062 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.38 -29.57 66.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.491 1.116 . . . . 0.0 112.915 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.65 -32.27 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.831 2.452 . . . . 0.0 113.956 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -115.68 7.13 14.64 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.986 1.314 . . . . 0.0 113.435 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -115.45 6.42 14.75 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.667 1.187 . . . . 0.0 113.231 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.61 40.61 23.35 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.321 1.449 . . . . 0.0 113.018 -176.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -117.47 -179.09 3.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.163 1.785 . . . . 0.0 111.33 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -128.69 161.88 28.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.522 1.529 . . . . 0.0 109.257 167.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -27.64 67.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.547 -1.346 . . . . 0.0 113.57 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.18 91.07 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.259 1.024 . . . . 0.0 112.504 174.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -59.4 -45.62 91.0 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.407 -0.808 . . . . 0.0 110.893 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.9 -44.06 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.255 0.622 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -58.28 -47.28 84.15 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.637 1.175 . . . . 0.0 111.578 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.6 -46.57 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.002 1.321 . . . . 0.0 111.355 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -62.9 -47.58 82.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.931 0.492 . . . . 0.0 111.884 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.7 -32.41 73.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.276 0.63 . . . . 0.0 112.275 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -65.68 -44.97 84.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.512 0.725 . . . . 0.0 111.364 173.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.24 -39.23 86.14 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.636 0.374 . . . . 0.0 111.817 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -65.03 -43.22 93.15 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.435 -0.79 . . . . 0.0 112.571 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -68.88 -33.05 73.14 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.027 0.831 . . . . 0.0 112.204 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 -44.0 85.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 122.805 0.442 . . . . 0.0 111.827 172.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -67.92 -33.95 75.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.132 1.373 . . . . 0.0 112.905 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -65.24 -49.73 68.53 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.528 1.131 . . . . 0.0 111.115 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -60.18 -20.84 60.44 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -67.7 -26.42 66.16 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.892 0.877 . . . . 0.0 112.888 173.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.35 -31.01 5.75 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.522 1.929 . . . . 0.0 113.695 -173.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 55.03 46.0 25.14 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.588 1.955 . . . . 0.0 112.928 -170.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.48 -45.8 89.1 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.377 -0.827 . . . . 0.0 112.631 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -88.33 138.62 31.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.42 1.088 . . . . 0.0 110.035 169.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 55.4 mt -138.13 133.72 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.338 1.455 . . . . 0.0 109.504 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.18 125.86 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.276 1.03 . . . . 0.0 109.408 170.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 63.3 p -109.43 -5.83 15.66 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -174.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.944 1.698 . . . . 0.0 113.858 177.686 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.8 m 53.92 39.93 31.0 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.585 1.554 . . . . 0.0 114.783 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -65.57 141.62 58.37 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.065 0.946 . . . . 0.0 113.036 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -86.96 59.3 5.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.312 1.445 . . . . 0.0 111.709 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -125.17 144.66 50.33 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.454 1.902 . . . . 0.0 111.545 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -99.45 53.06 0.94 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.369 1.468 . . . . 0.0 111.448 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 57.72 16.43 3.49 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.906 2.083 . . . . 0.0 115.433 -174.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 91.8 m -139.83 138.71 35.99 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.2 1.8 . . . . 0.0 109.983 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -117.55 -15.94 10.19 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -173.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -74.62 156.7 36.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.706 0.802 . . . . 0.0 112.678 -176.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -99.18 158.34 15.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.322 1.049 . . . . 0.0 111.454 175.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -61.86 -9.97 8.11 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -95.81 -41.17 8.97 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.474 . . . . 0.0 112.48 172.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.9 -42.06 98.63 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.206 0.912 . . . . 0.0 111.552 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 mt -56.17 -31.68 63.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.105 1.362 . . . . 0.0 112.932 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -69.14 -41.78 76.86 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.696 0.798 . . . . 0.0 111.554 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -72.57 -34.05 67.2 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.989 0.515 . . . . 0.0 111.559 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.64 -51.2 63.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.335 1.054 . . . . 0.0 111.276 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.63 -29.4 67.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -38.29 59.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.131 0.878 . . . . 0.0 112.867 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -78.65 -24.39 45.23 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.556 -0.715 . . . . 0.0 112.344 176.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.05 -27.36 68.84 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.429 1.092 . . . . 0.0 112.599 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -70.24 -39.54 74.99 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.207 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -91.01 -22.01 20.99 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.489 1.115 . . . . 0.0 113.926 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -135.51 103.67 5.55 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.719 1.208 . . . . 0.0 110.029 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -81.9 -9.44 59.59 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -151.32 64.3 6.02 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.889 1.276 . . . . 0.0 112.553 -172.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -66.61 152.97 79.61 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.993 2.462 . . . . 0.0 112.408 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -114.7 178.33 4.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.344 2.257 . . . . 0.0 110.523 -173.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.0 ptm -51.58 -28.06 12.92 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.624 -1.298 . . . . 0.0 114.043 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -44.5 14.0 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.739 0.816 . . . . 0.0 112.161 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.45 -34.24 41.73 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.144 0.978 . . . . 0.0 113.27 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 81.2 mtm-85 -58.78 -46.1 88.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.159 0.983 . . . . 0.0 111.717 169.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.9 -43.2 98.84 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.004 -0.435 . . . . 0.0 111.419 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.66 -32.18 67.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.33 -32.82 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.908 1.231 . . . . 0.0 111.925 172.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -29.9 67.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.54 1.136 . . . . 0.0 112.883 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.4 -32.93 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.867 2.467 . . . . 0.0 113.944 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -115.01 7.12 15.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.908 1.283 . . . . 0.0 113.461 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -115.41 5.94 14.67 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.147 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 57.86 40.85 25.58 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.649 1.58 . . . . 0.0 113.653 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -117.04 179.74 3.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.975 1.71 . . . . 0.0 111.589 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -126.22 163.55 22.92 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.127 1.371 . . . . 0.0 109.591 168.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -29.67 69.08 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.87 -1.144 . . . . 0.0 113.249 -171.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.97 70.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.973 1.309 . . . . 0.0 113.217 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -70.22 -38.42 75.25 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.055 0.843 . . . . 0.0 111.179 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 t -67.62 -47.36 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 174.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.66 -50.0 69.24 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.344 . . . . 0.0 111.623 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -70.37 -36.67 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.083 0.553 . . . . 0.0 112.232 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -65.04 -48.29 74.39 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.602 0.637 . . . . 0.0 111.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.03 -31.24 72.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.872 0.869 . . . . 0.0 112.357 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -69.76 -41.22 75.47 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.389 1.076 . . . . 0.0 111.855 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -68.72 -40.9 79.7 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -61.98 -40.79 96.83 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -70.55 -33.44 71.13 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.69 96.28 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.129 -0.357 . . . . 0.0 111.613 171.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -70.95 -36.41 72.58 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.836 0.854 . . . . 0.0 113.035 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -58.87 -47.01 86.44 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.94 0.896 . . . . 0.0 111.877 174.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -61.32 -22.05 64.54 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.16 -24.97 65.94 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 171.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -113.4 -32.07 6.36 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.725 1.61 . . . . 0.0 114.175 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 55.32 44.65 27.01 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.139 1.775 . . . . 0.0 113.256 -170.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -64.47 -46.82 81.4 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 121.296 -0.878 . . . . 0.0 112.335 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -86.35 151.0 23.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.636 1.174 . . . . 0.0 110.47 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 38.7 mm -127.59 130.11 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.233 1.413 . . . . 0.0 109.638 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.16 140.29 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.349 1.06 . . . . 0.0 110.278 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 4.8 t -80.92 -5.96 58.09 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 126.44 1.896 . . . . 0.0 112.927 -178.744 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 CA--C 1.537 0.449 0 CA-C-O 120.921 0.391 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.8 p -107.01 160.62 15.4 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.176 1.391 . . . . 0.0 111.444 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -60.44 -11.66 7.43 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -95.8 -41.53 8.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.244 1.418 . . . . 0.0 112.548 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.91 -40.83 94.63 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.252 -0.905 . . . . 0.0 111.704 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.64 -30.06 65.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.954 1.302 . . . . 0.0 113.138 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -71.51 -41.18 69.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.427 0.691 . . . . 0.0 111.461 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -70.88 -33.09 70.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.049 0.539 . . . . 0.0 111.924 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.88 -51.32 62.65 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.336 1.055 . . . . 0.0 111.592 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.45 -20.06 60.8 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.02 -47.1 30.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.617 0.767 . . . . 0.0 111.935 169.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.436 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -71.23 -23.39 61.99 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.931 -1.106 . . . . 0.0 112.682 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.92 -23.53 61.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.523 1.529 . . . . 0.0 112.624 169.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -77.68 -38.43 47.53 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.296 -0.877 . . . . 0.0 113.013 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.2 -25.65 31.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.794 1.238 . . . . 0.0 113.021 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -140.55 107.64 5.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.886 1.274 . . . . 0.0 110.361 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -87.64 -6.97 58.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.615 0.766 . . . . 0.0 112.975 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -153.24 65.2 5.44 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.219 1.408 . . . . 0.0 111.987 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -67.73 154.83 72.18 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.446 2.098 . . . . 0.0 112.565 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -118.36 177.15 4.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.468 2.307 . . . . 0.0 110.185 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.6 ptm -48.08 -32.91 7.36 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.636 -1.29 . . . . 0.0 113.886 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 35.5 m -80.07 -42.0 24.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.322 0.649 . . . . 0.0 112.332 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -33.73 28.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.025 0.93 . . . . 0.0 113.104 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.32 -44.77 84.46 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.058 -1.026 . . . . 0.0 111.16 169.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.34 -42.39 92.92 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.243 0.474 . . . . 0.0 112.075 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -51.58 -40.92 60.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.805 0.842 . . . . 0.0 112.895 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.436 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -82.25 -32.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.968 0.804 . . . . 0.0 111.469 178.432 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.1 -28.21 64.16 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.83 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.28 -31.57 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 127.194 2.197 . . . . 0.0 114.121 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -115.7 5.78 14.32 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.854 1.262 . . . . 0.0 113.495 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -114.08 3.86 15.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 113.182 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t30 57.55 44.04 21.68 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.638 1.575 . . . . 0.0 113.639 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -117.24 -176.92 3.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.314 1.846 . . . . 0.0 111.243 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -130.5 162.25 29.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.976 1.311 . . . . 0.0 109.694 168.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.53 -29.99 64.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.36 88.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.019 0.928 . . . . 0.0 112.29 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -59.31 -46.46 88.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.887 0.875 . . . . 0.0 110.313 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.8 t -63.32 -45.44 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.011 0.525 . . . . 0.0 110.936 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -58.86 -46.53 87.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.874 0.869 . . . . 0.0 112.119 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.85 -43.78 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.017 1.327 . . . . 0.0 111.31 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.13 -49.51 71.89 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 122.794 0.438 . . . . 0.0 111.814 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -63.59 -32.97 74.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.682 0.793 . . . . 0.0 112.402 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -65.33 -48.7 72.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.638 0.775 . . . . 0.0 111.195 174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 . . . . . 0 CA--C 1.538 0.512 0 C-N-CA 122.942 0.497 . . . . 0.0 111.584 175.041 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.732 0.301 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -100.57 158.96 15.54 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.448 1.099 . . . . 0.0 111.237 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.6 m -61.23 -11.44 9.44 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.21 -40.76 9.02 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.271 1.428 . . . . 0.0 112.519 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.58 -42.27 96.37 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.271 -0.893 . . . . 0.0 111.654 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -55.8 -31.71 62.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.965 1.306 . . . . 0.0 113.197 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -69.49 -40.4 77.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -73.02 -31.0 64.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.354 0.661 . . . . 0.0 111.835 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.46 -51.08 55.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.389 1.076 . . . . 0.0 111.573 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.76 -23.88 63.44 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.24 -47.42 35.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.118 0.872 . . . . 0.0 112.222 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.417 HG21 HG21 ' P' ' 34' ' ' ILE . 1.9 t -70.91 -25.41 62.75 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.012 -1.055 . . . . 0.0 112.565 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -57.46 -29.44 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.307 1.443 . . . . 0.0 111.952 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -71.97 -39.51 69.29 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.431 -0.793 . . . . 0.0 113.088 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -82.69 -27.2 31.4 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.554 0.742 . . . . 0.0 112.812 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -138.63 101.05 4.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.658 1.183 . . . . 0.0 110.489 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -84.26 -4.98 59.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.948 0.899 . . . . 0.0 112.898 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -152.26 63.99 5.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.701 1.6 . . . . 0.0 112.078 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.67 156.27 66.06 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.558 2.172 . . . . 0.0 112.354 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -119.66 176.75 5.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.09 2.156 . . . . 0.0 110.433 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.0 ptm -49.68 -31.27 10.72 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.804 -1.185 . . . . 0.0 113.92 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.2 m -81.35 -42.6 20.27 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.512 0.725 . . . . 0.0 112.297 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.92 34.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.3 -46.01 79.99 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.363 0.983 . . . . 0.0 111.449 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.46 -40.6 89.49 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 119.058 -0.496 . . . . 0.0 112.181 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -52.15 -39.22 59.67 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.129 0.877 . . . . 0.0 112.868 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.417 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -83.21 -31.68 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.215 0.916 . . . . 0.0 111.812 178.012 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.33 -27.99 62.78 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.387 1.075 . . . . 0.0 112.939 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.79 -31.4 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.25 2.22 . . . . 0.0 114.04 -171.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -115.59 6.26 14.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.953 1.301 . . . . 0.0 113.618 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -114.75 5.05 15.16 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.6 1.16 . . . . 0.0 113.317 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 49.0 t30 57.42 42.76 24.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.446 1.498 . . . . 0.0 113.472 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.2 mt -116.09 -178.04 3.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.16 1.784 . . . . 0.0 111.033 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -131.39 167.81 18.65 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.446 1.498 . . . . 0.0 109.881 168.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.21 -41.94 50.6 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.559 1.072 . . . . 0.0 112.062 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.83 92.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.243 0.617 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 -58.34 -47.99 81.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.724 0.81 . . . . 0.0 111.314 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.63 -45.06 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 122.749 0.42 . . . . 0.0 110.965 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -57.98 -46.46 85.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.68 1.192 . . . . 0.0 111.312 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -62.27 -44.52 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.869 1.268 . . . . 0.0 111.712 175.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -65.74 -44.92 84.48 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.23 -33.04 72.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 111.986 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -67.08 -44.92 78.83 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.951 -1.093 . . . . 0.0 111.241 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 123.237 0.615 . . . . 0.0 111.777 171.402 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -103.02 160.16 14.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.106 1.362 . . . . 0.0 111.178 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.2 m -61.01 -11.53 8.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -95.35 -41.58 8.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.228 1.411 . . . . 0.0 112.48 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.25 -41.49 96.99 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.238 -0.914 . . . . 0.0 111.747 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.66 -30.49 63.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.068 1.347 . . . . 0.0 113.173 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -70.61 -42.0 71.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.471 0.709 . . . . 0.0 111.417 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -70.83 -34.14 71.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.235 0.614 . . . . 0.0 111.74 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.97 -51.42 61.83 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.298 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.18 -20.32 60.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.779 1.399 . . . . 0.0 114.779 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -46.85 29.35 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.7 0.682 . . . . 0.0 112.132 170.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -70.85 -26.72 63.39 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.119 -0.988 . . . . 0.0 112.292 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.56 -28.77 60.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.461 1.504 . . . . 0.0 112.768 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.6 -38.3 70.88 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.357 -0.839 . . . . 0.0 113.063 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -88.69 -23.39 23.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.679 1.192 . . . . 0.0 113.743 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -138.95 101.02 4.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.143 1.377 . . . . 0.0 109.919 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -80.23 -10.93 59.77 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -150.54 65.71 7.23 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.23 1.412 . . . . 0.0 111.968 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -66.49 156.94 63.03 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.017 2.478 . . . . 0.0 112.443 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -118.02 176.65 5.11 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.259 2.224 . . . . 0.0 110.539 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.4 -31.56 9.83 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.718 -1.239 . . . . 0.0 114.042 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.8 m -80.9 -43.58 19.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.459 0.703 . . . . 0.0 112.13 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.16 -35.52 41.83 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.928 0.891 . . . . 0.0 112.973 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -56.19 -47.47 78.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.439 1.096 . . . . 0.0 111.612 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -41.27 94.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.041 -0.412 . . . . 0.0 111.708 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.33 -32.17 64.42 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.33 -32.52 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 120.002 1.274 . . . . 0.0 111.979 172.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.93 65.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.468 1.107 . . . . 0.0 112.879 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.42 -34.05 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 127.824 2.45 . . . . 0.0 114.041 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -114.08 6.15 16.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.727 1.211 . . . . 0.0 113.412 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.3 p -114.45 4.57 15.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.748 1.219 . . . . 0.0 113.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.13 42.56 22.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.495 1.518 . . . . 0.0 113.078 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -116.77 -177.91 3.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.31 1.844 . . . . 0.0 111.252 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.5 t -130.94 167.2 19.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.343 1.457 . . . . 0.0 109.562 168.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.12 -42.04 49.81 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.115 0.871 . . . . 0.0 111.961 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.51 91.43 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.1 0.56 . . . . 0.0 112.027 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -61.02 -46.95 88.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.995 0.918 . . . . 0.0 110.817 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.91 -44.75 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.021 0.373 . . . . 0.0 111.274 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -58.55 -46.37 87.02 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.764 1.226 . . . . 0.0 111.327 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.678 1.191 . . . . 0.0 111.647 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -64.07 -49.08 73.69 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.48 0.582 . . . . 0.0 111.827 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.1 -32.08 73.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.243 0.617 . . . . 0.0 112.108 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -66.75 -39.48 87.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.022 0.929 . . . . 0.0 111.99 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 CA--C 1.539 0.53 0 O-C-N 122.006 -0.434 . . . . 0.0 111.986 170.509 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 N--CA 1.469 0.501 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -104.4 160.3 15.02 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.052 1.341 . . . . 0.0 111.135 170.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.7 m -61.03 -11.81 9.56 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -95.36 -41.39 9.03 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.23 1.412 . . . . 0.0 112.482 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.79 -41.49 95.69 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.288 -0.882 . . . . 0.0 111.613 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.96 -30.64 64.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.988 1.315 . . . . 0.0 113.188 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -70.76 -41.31 71.92 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.445 0.698 . . . . 0.0 111.39 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.85 -32.52 67.58 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.19 0.596 . . . . 0.0 111.919 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.3 mt -65.69 -49.81 67.17 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 172.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.45 -16.82 60.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.98 -47.3 21.17 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.805 0.842 . . . . 0.0 112.176 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.433 HG21 HG21 ' P' ' 34' ' ' ILE . 2.4 t -70.12 -25.18 63.37 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.973 -1.08 . . . . 0.0 112.365 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.89 -28.21 55.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.738 1.615 . . . . 0.0 112.362 169.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -72.09 -37.73 69.51 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -86.33 -26.77 24.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.864 0.866 . . . . 0.0 113.131 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -142.33 103.96 4.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.012 1.325 . . . . 0.0 110.225 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -81.09 -11.47 59.49 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -151.05 66.71 7.38 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.134 1.374 . . . . 0.0 111.99 -172.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -66.93 156.34 66.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.127 2.551 . . . . 0.0 112.737 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -117.42 177.27 4.8 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.205 2.202 . . . . 0.0 110.83 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.2 ptm -50.15 -28.99 8.25 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.628 -1.295 . . . . 0.0 114.111 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 31.8 p -80.74 -50.4 9.92 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.113 1.365 . . . . 0.0 112.702 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.38 -33.85 61.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.226 1.01 . . . . 0.0 113.147 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -58.36 -47.17 84.68 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.243 1.017 . . . . 0.0 111.397 169.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.05 -41.99 99.62 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.913 -0.492 . . . . 0.0 111.323 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.58 -36.05 61.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.433 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -86.77 -31.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.636 1.107 . . . . 0.0 111.969 176.073 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.52 63.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.318 1.047 . . . . 0.0 112.668 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.32 -31.7 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 127.294 2.238 . . . . 0.0 114.144 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -115.97 6.19 14.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.831 1.252 . . . . 0.0 113.479 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 76.5 p -114.83 5.23 15.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.717 1.207 . . . . 0.0 113.238 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.88 42.91 22.36 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.595 1.558 . . . . 0.0 113.708 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -117.19 -178.53 3.47 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.096 1.758 . . . . 0.0 111.463 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.0 t -130.7 164.7 24.48 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.446 1.498 . . . . 0.0 109.618 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -31.18 67.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.875 -1.141 . . . . 0.0 113.104 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.54 85.11 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.479 1.112 . . . . 0.0 112.441 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -62.29 -44.79 95.71 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.328 -0.858 . . . . 0.0 110.421 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.39 -44.39 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.526 0.33 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -55.76 -48.24 75.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.949 1.3 . . . . 0.0 111.372 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.749 1.22 . . . . 0.0 111.531 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.9 -47.44 77.77 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.058 0.845 . . . . 0.0 112.195 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.65 -24.09 64.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.567 0.747 . . . . 0.0 112.794 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -74.45 -37.24 63.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.472 1.109 . . . . 0.0 111.991 169.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 . . . . . 0 CA--C 1.54 0.574 0 O-C-N 121.541 -0.724 . . . . 0.0 112.38 171.448 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -96.84 158.09 15.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.117 0.967 . . . . 0.0 111.368 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -61.92 -8.67 5.4 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -97.96 -41.59 7.92 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.352 1.461 . . . . 0.0 112.399 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.73 -42.66 93.63 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.154 0.888 . . . . 0.0 111.523 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.01 -30.67 64.38 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.026 1.33 . . . . 0.0 113.216 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -71.1 -41.4 70.65 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.373 0.669 . . . . 0.0 111.314 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -71.3 -33.18 69.47 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.154 0.582 . . . . 0.0 111.861 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.74 -50.13 65.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.322 1.049 . . . . 0.0 111.503 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -74.72 -18.44 60.5 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -47.1 27.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.825 0.85 . . . . 0.0 112.024 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.445 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -70.11 -25.38 63.47 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.9 -1.125 . . . . 0.0 112.482 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.95 -27.24 60.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.498 1.519 . . . . 0.0 112.595 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -72.95 -38.73 66.65 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.459 -0.776 . . . . 0.0 113.0 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -84.38 -27.26 27.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.695 0.798 . . . . 0.0 113.015 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -141.57 103.15 4.33 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.004 1.322 . . . . 0.0 110.125 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -80.87 -12.08 59.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -150.95 66.81 7.5 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 125.264 1.426 . . . . 0.0 111.79 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.51 151.95 81.87 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.213 2.609 . . . . 0.0 113.417 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -110.93 177.42 4.67 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 126.872 2.069 . . . . 0.0 111.106 -170.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.08 -26.04 14.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.514 -1.366 . . . . 0.0 114.166 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -86.04 -46.61 10.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.11 0.964 . . . . 0.0 111.81 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -34.49 54.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.65 1.114 . . . . 0.0 111.758 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.57 0.348 . . . . 0.0 111.654 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.98 -38.62 65.23 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.93 0.892 . . . . 0.0 112.881 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.445 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -83.69 -32.19 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 119.088 0.858 . . . . 0.0 111.688 177.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.76 67.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.216 1.006 . . . . 0.0 112.658 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.23 -30.82 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.205 2.202 . . . . 0.0 114.135 -171.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -116.71 7.11 13.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.007 1.323 . . . . 0.0 113.512 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -114.84 6.0 15.34 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.616 1.166 . . . . 0.0 113.371 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.7 t30 58.25 40.71 24.42 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.448 1.499 . . . . 0.0 113.629 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.29 179.8 3.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.975 1.71 . . . . 0.0 111.3 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.21 160.88 28.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.817 1.247 . . . . 0.0 109.278 167.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.84 -28.48 67.53 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.846 -1.159 . . . . 0.0 113.397 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.82 89.52 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.735 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -60.65 -44.16 96.75 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.6 -45.19 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.99 0.516 . . . . 0.0 109.996 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -59.95 -44.16 94.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.086 0.955 . . . . 0.0 112.244 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.55 -45.42 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.803 1.241 . . . . 0.0 111.586 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.57 -47.13 82.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.278 0.49 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -65.86 -32.21 73.59 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.451 0.7 . . . . 0.0 112.599 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -66.79 -37.84 85.33 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.966 0.906 . . . . 0.0 111.782 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 169.671 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 120.627 0.251 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -94.35 158.0 15.77 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.825 0.85 . . . . 0.0 111.681 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.5 m -63.6 -7.17 6.54 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -91.25 -44.54 9.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.219 1.007 . . . . 0.0 111.174 169.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.98 -45.39 92.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.861 0.864 . . . . 0.0 111.516 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.26 -32.29 66.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.948 1.299 . . . . 0.0 112.876 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -75.29 -37.39 60.9 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.84 -33.65 72.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.518 0.599 . . . . 0.0 111.8 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.9 -51.3 57.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.413 1.085 . . . . 0.0 111.687 174.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.17 -23.78 63.04 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.5 -47.72 25.77 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.952 0.796 . . . . 0.0 112.189 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.11 -27.69 65.81 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.184 -0.947 . . . . 0.0 112.088 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -57.11 -28.48 62.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.691 1.596 . . . . 0.0 112.873 170.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -71.61 -38.8 70.78 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.009 0.822 . . . . 0.0 113.035 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -89.74 -23.46 21.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.368 1.067 . . . . 0.0 113.733 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -138.75 101.78 4.41 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.078 1.351 . . . . 0.0 109.57 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -79.98 -12.37 59.72 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -150.24 65.78 7.48 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 125.13 1.372 . . . . 0.0 112.072 -173.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -65.68 152.43 81.71 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.069 2.513 . . . . 0.0 112.683 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -113.53 178.19 4.37 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.101 2.16 . . . . 0.0 110.794 -171.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.7 ptm -52.19 -26.55 11.84 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.562 -1.336 . . . . 0.0 114.315 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -85.27 -47.39 10.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.818 0.847 . . . . 0.0 111.814 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -34.9 59.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.181 -0.949 . . . . 0.0 113.427 -177.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -59.6 -45.6 91.41 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.367 0.985 . . . . 0.0 112.006 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.74 -44.05 97.15 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.102 0.41 . . . . 0.0 111.188 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.83 -31.28 66.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.66 -32.2 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.963 1.256 . . . . 0.0 112.069 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.02 67.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 112.933 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.83 -32.2 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.764 2.426 . . . . 0.0 113.934 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -115.6 7.48 14.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.94 1.296 . . . . 0.0 113.461 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.55 6.67 14.69 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.682 1.193 . . . . 0.0 113.236 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.24 39.63 25.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.312 1.445 . . . . 0.0 113.077 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.26 -179.73 3.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.132 1.773 . . . . 0.0 111.342 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -127.05 162.03 26.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.25 1.42 . . . . 0.0 109.294 167.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -28.21 68.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.619 -1.301 . . . . 0.0 113.438 -172.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.16 87.71 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.318 1.047 . . . . 0.0 112.532 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -60.3 -44.88 95.02 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.317 -0.864 . . . . 0.0 111.046 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.27 -44.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.091 0.556 . . . . 0.0 110.28 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -57.43 -48.25 79.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.587 1.155 . . . . 0.0 111.537 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.84 -44.81 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.906 1.282 . . . . 0.0 111.613 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.41 -47.08 80.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.391 0.541 . . . . 0.0 111.603 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.92 -32.68 74.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.245 0.618 . . . . 0.0 112.309 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -66.19 -41.54 90.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.014 0.926 . . . . 0.0 111.537 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 . . . . . 0 CA--C 1.541 0.634 0 O-C-N 122.12 -0.363 . . . . 0.0 111.951 170.57 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -97.19 157.93 15.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.913 0.885 . . . . 0.0 111.352 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -62.06 -8.25 5.11 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -98.22 -41.35 7.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.411 1.485 . . . . 0.0 112.489 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.29 -43.06 96.59 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.228 -0.92 . . . . 0.0 111.509 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.0 mt -55.96 -32.23 63.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.005 1.322 . . . . 0.0 113.2 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -68.95 -41.17 78.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.458 0.703 . . . . 0.0 111.563 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.17 -31.29 64.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.172 0.589 . . . . 0.0 111.804 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.64 -49.97 60.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.365 1.066 . . . . 0.0 111.422 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.96 -24.8 63.4 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.29 -47.0 29.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.547 0.739 . . . . 0.0 112.323 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.445 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -70.57 -24.91 62.86 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.032 -1.042 . . . . 0.0 112.386 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -58.94 -24.83 62.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.079 1.352 . . . . 0.0 112.704 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.07 -39.1 63.7 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.252 -0.905 . . . . 0.0 113.001 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -83.6 -27.35 29.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.682 0.793 . . . . 0.0 112.886 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -139.05 105.62 5.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.827 1.251 . . . . 0.0 110.464 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -84.95 -8.81 58.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.19 65.88 6.31 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.035 1.334 . . . . 0.0 111.872 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -67.52 151.34 79.91 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.92 2.413 . . . . 0.0 113.137 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.99 177.67 4.57 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.875 2.07 . . . . 0.0 110.879 -170.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.15 -25.85 14.86 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.596 -1.315 . . . . 0.0 114.136 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -86.09 -46.31 10.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.146 0.978 . . . . 0.0 111.811 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -34.34 50.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.46 -45.39 91.75 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.622 1.101 . . . . 0.0 111.748 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -61.21 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 122.08 -0.387 . . . . 0.0 111.732 171.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.03 -38.95 65.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.864 0.866 . . . . 0.0 112.833 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.445 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -82.98 -32.69 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.149 0.886 . . . . 0.0 111.579 177.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.85 67.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.438 1.095 . . . . 0.0 112.628 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.13 -30.41 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.406 2.282 . . . . 0.0 114.144 -171.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -117.19 7.59 13.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.906 1.282 . . . . 0.0 113.449 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -115.37 6.33 14.82 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.58 40.44 23.65 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.33 1.452 . . . . 0.0 113.023 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.29 -179.61 3.76 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.099 1.76 . . . . 0.0 111.351 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -126.65 161.7 27.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.173 1.389 . . . . 0.0 109.315 167.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.2 -28.41 67.96 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.642 -1.286 . . . . 0.0 113.587 -172.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.06 91.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.593 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -59.95 -44.45 94.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.837 0.855 . . . . 0.0 111.195 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.1 -45.14 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.198 0.599 . . . . 0.0 109.914 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -59.9 -43.62 94.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.961 0.904 . . . . 0.0 112.29 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.07 -44.94 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.805 1.242 . . . . 0.0 111.598 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -64.33 -47.08 80.76 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.889 0.768 . . . . 0.0 111.812 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.09 -28.07 68.55 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.991 0.917 . . . . 0.0 112.865 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -70.42 -44.38 68.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.259 1.023 . . . . 0.0 111.635 170.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 . . . . . 0 CA--C 1.541 0.604 0 O-C-N 122.018 -0.427 . . . . 0.0 111.932 173.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 p -100.05 158.81 15.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.923 1.289 . . . . 0.0 111.685 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.3 m -63.11 -6.54 4.27 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -92.01 -44.04 9.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.188 0.995 . . . . 0.0 111.255 169.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.0 -43.96 94.09 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.344 -0.847 . . . . 0.0 111.599 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.23 -31.82 67.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.022 1.329 . . . . 0.0 112.845 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -74.66 -38.31 62.47 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.329 0.652 . . . . 0.0 112.255 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -69.99 -34.76 73.77 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.778 0.717 . . . . 0.0 111.745 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.9 mt -65.5 -51.74 57.78 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.349 1.06 . . . . 0.0 111.456 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.17 -18.36 60.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.7 -47.34 19.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.565 0.746 . . . . 0.0 112.034 169.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.69 -26.92 64.6 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.012 -1.055 . . . . 0.0 112.305 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -55.36 -29.27 58.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.938 1.695 . . . . 0.0 112.831 169.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.93 -36.69 67.27 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -89.42 -23.91 22.03 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.666 1.186 . . . . 0.0 113.693 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -138.74 102.14 4.5 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.144 1.378 . . . . 0.0 109.701 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -81.12 -10.59 59.63 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -150.88 65.77 7.03 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.069 1.347 . . . . 0.0 112.172 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -67.07 155.86 68.93 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.961 2.44 . . . . 0.0 112.599 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -117.76 176.94 4.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.16 2.184 . . . . 0.0 110.494 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.11 -29.88 9.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.696 -1.252 . . . . 0.0 114.019 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -82.82 -43.13 17.03 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.415 0.686 . . . . 0.0 112.499 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.07 -35.02 43.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.922 0.889 . . . . 0.0 112.865 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -57.38 -46.92 82.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.367 1.067 . . . . 0.0 111.382 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.15 -42.7 99.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.215 0.461 . . . . 0.0 111.14 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.97 -30.66 64.29 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -32.94 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 120.079 1.309 . . . . 0.0 112.115 172.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.07 65.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 112.705 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.54 -32.6 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 127.736 2.415 . . . . 0.0 113.979 -173.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.68 7.51 14.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.857 1.263 . . . . 0.0 113.338 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -115.88 6.69 14.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.889 1.276 . . . . 0.0 113.157 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.38 40.22 24.51 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.59 1.556 . . . . 0.0 113.902 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -118.11 -177.22 3.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.147 1.779 . . . . 0.0 111.852 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.8 t -132.98 165.52 24.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.781 1.632 . . . . 0.0 109.707 168.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -31.21 68.13 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.023 -1.048 . . . . 0.0 113.268 -171.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.88 -37.54 86.41 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.256 1.022 . . . . 0.0 112.127 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -63.59 -44.09 95.06 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.821 0.848 . . . . 0.0 110.979 173.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.53 -44.72 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 122.762 0.425 . . . . 0.0 110.65 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.69 -49.69 72.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.951 1.301 . . . . 0.0 111.344 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.697 1.199 . . . . 0.0 111.533 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.76 -47.03 79.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.515 0.598 . . . . 0.0 111.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -68.42 -24.14 64.71 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.017 0.927 . . . . 0.0 113.117 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -75.74 -36.12 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.651 1.18 . . . . 0.0 111.893 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 . . . . . 0 CA--C 1.543 0.682 0 O-C-N 121.898 -0.501 . . . . 0.0 111.963 169.561 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 120.712 0.291 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p -98.94 159.34 15.03 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.398 1.079 . . . . 0.0 111.256 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.9 m -61.29 -10.16 6.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -96.77 -41.51 8.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.262 1.425 . . . . 0.0 112.484 172.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.52 -41.72 94.96 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.25 -0.906 . . . . 0.0 111.671 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.7 mt -57.08 -30.74 64.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.113 1.365 . . . . 0.0 113.199 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -71.09 -40.99 71.2 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.371 0.669 . . . . 0.0 111.339 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -71.83 -32.36 67.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.252 0.621 . . . . 0.0 111.945 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.66 -50.38 65.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.396 1.078 . . . . 0.0 111.521 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.21 -17.19 60.93 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.15 -47.05 25.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.551 0.74 . . . . 0.0 112.042 169.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.424 HG21 HG21 ' P' ' 34' ' ' ILE . 2.5 t -70.25 -25.18 63.25 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.028 -1.045 . . . . 0.0 112.357 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.98 -32.98 62.09 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.131 1.372 . . . . 0.0 111.881 169.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -68.32 -36.9 79.98 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.46 -0.775 . . . . 0.0 113.044 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -86.32 -26.97 24.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.985 0.914 . . . . 0.0 113.095 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -143.14 102.32 3.97 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.835 1.254 . . . . 0.0 110.865 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -81.02 -8.85 59.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.692 0.797 . . . . 0.0 113.056 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -151.79 65.39 6.32 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.198 1.399 . . . . 0.0 111.968 -174.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -66.66 152.84 79.84 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.099 2.532 . . . . 0.0 113.016 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -112.96 177.27 4.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.894 2.078 . . . . 0.0 110.764 -171.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.1 ptm -51.66 -27.97 13.15 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.665 -1.272 . . . . 0.0 114.125 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 32.6 m -84.3 -44.0 14.26 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.77 0.828 . . . . 0.0 112.164 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -34.13 40.38 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.029 0.932 . . . . 0.0 113.151 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -59.86 -45.29 92.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.078 -1.014 . . . . 0.0 111.964 170.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.66 -43.54 98.66 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.047 -0.408 . . . . 0.0 111.564 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.9 -37.3 63.63 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.668 0.787 . . . . 0.0 112.957 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.424 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -85.05 -32.21 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.213 0.915 . . . . 0.0 111.934 177.04 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.04 -29.3 67.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.145 0.978 . . . . 0.0 112.622 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.39 -30.85 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 127.31 2.244 . . . . 0.0 114.183 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -116.66 6.77 13.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.871 1.268 . . . . 0.0 113.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -114.4 5.84 15.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.617 1.167 . . . . 0.0 113.366 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 57.81 41.19 25.31 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.433 1.493 . . . . 0.0 113.525 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -116.56 -179.87 3.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.034 1.734 . . . . 0.0 111.285 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -127.46 161.35 28.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.144 1.378 . . . . 0.0 109.027 167.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -28.48 67.27 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.058 -1.026 . . . . 0.0 113.302 -171.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.82 -38.07 85.74 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.558 1.143 . . . . 0.0 112.679 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.46 -45.76 92.55 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.277 -0.889 . . . . 0.0 110.211 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.75 -43.47 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.229 0.611 . . . . 0.0 110.747 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -58.0 -46.78 84.7 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.038 1.335 . . . . 0.0 111.615 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.17 -44.84 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.733 1.213 . . . . 0.0 111.375 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.22 -48.42 75.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.369 0.531 . . . . 0.0 111.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.66 -21.96 64.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -74.21 -42.53 59.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 111.46 169.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.649 0.261 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -94.69 157.53 15.92 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.783 0.833 . . . . 0.0 111.695 175.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -63.19 -6.82 4.75 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -91.5 -44.44 9.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 0.0 111.002 169.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -63.22 -45.82 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.47 -0.769 . . . . 0.0 111.297 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.83 -33.06 66.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.938 1.295 . . . . 0.0 112.932 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.38 -38.25 60.09 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.261 0.624 . . . . 0.0 112.178 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.76 -34.87 76.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.779 0.718 . . . . 0.0 111.76 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.0 -52.24 51.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.279 1.031 . . . . 0.0 111.396 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.07 -20.13 60.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.1 -44.18 26.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.421 0.688 . . . . 0.0 112.16 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -26.2 62.53 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.916 -1.115 . . . . 0.0 112.423 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.51 -26.59 61.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.502 1.521 . . . . 0.0 112.369 168.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.93 -37.7 61.97 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 113.193 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -83.93 -27.65 28.41 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.908 0.883 . . . . 0.0 112.886 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -138.19 101.2 4.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.1 1.36 . . . . 0.0 109.734 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.23 -11.82 59.69 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -150.19 66.57 7.92 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.114 1.366 . . . . 0.0 111.914 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -67.03 157.9 59.44 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.049 2.499 . . . . 0.0 112.665 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -120.55 -179.42 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.066 2.146 . . . . 0.0 110.419 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -51.12 -31.61 20.0 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.488 -1.383 . . . . 0.0 113.591 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 26.7 p -77.0 -49.45 15.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.885 1.274 . . . . 0.0 112.224 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -34.71 50.69 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.121 0.968 . . . . 0.0 113.089 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtm105 -60.46 -43.54 96.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.554 1.07 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.22 -44.45 96.54 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.326 0.512 . . . . 0.0 111.433 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.52 -32.46 67.07 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.46 -32.19 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.87 1.213 . . . . 0.0 111.833 173.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -29.93 67.3 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.382 1.073 . . . . 0.0 112.977 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.79 -31.43 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.856 2.463 . . . . 0.0 114.015 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -116.36 7.32 13.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.97 1.308 . . . . 0.0 113.522 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 65.7 p -115.25 6.67 15.04 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.67 1.188 . . . . 0.0 113.312 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.68 39.73 24.11 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.213 1.405 . . . . 0.0 113.052 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -116.95 -177.23 3.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.28 1.832 . . . . 0.0 111.214 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -130.79 163.63 26.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.538 1.535 . . . . 0.0 109.628 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.53 -25.83 64.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.96 -37.69 69.88 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.669 1.188 . . . . 0.0 112.386 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -59.22 -44.5 92.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.713 0.805 . . . . 0.0 111.004 172.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.87 -44.04 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.306 0.642 . . . . 0.0 110.359 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -60.33 -45.23 94.18 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.287 0.635 . . . . 0.0 112.175 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -42.57 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.892 1.277 . . . . 0.0 111.501 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -66.87 -46.91 73.5 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.113 0.87 . . . . 0.0 112.133 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -64.87 -30.4 71.4 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.673 -0.642 . . . . 0.0 111.384 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -70.22 -39.44 75.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.881 0.872 . . . . 0.0 112.494 171.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 . . . . . 0 CA--C 1.541 0.609 0 O-C-N 121.526 -0.734 . . . . 0.0 111.84 170.875 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -102.64 159.65 15.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.855 1.262 . . . . 0.0 111.737 172.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.3 m -62.19 -10.63 11.14 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -91.24 -42.23 10.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.347 1.059 . . . . 0.0 111.923 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -63.53 -42.95 98.4 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.33 -0.856 . . . . 0.0 111.683 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 mt -57.75 -32.69 67.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.95 1.3 . . . . 0.0 112.783 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.2 -38.4 69.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.356 0.662 . . . . 0.0 112.163 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -71.6 -33.27 68.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.649 -0.657 . . . . 0.0 112.008 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.76 -50.72 61.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 111.472 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.46 -25.16 63.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -47.74 31.25 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.912 0.778 . . . . 0.0 111.927 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -69.92 -26.48 64.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.253 -0.904 . . . . 0.0 112.458 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.99 -28.59 66.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.452 1.501 . . . . 0.0 112.783 170.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -72.12 -38.71 69.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.315 -0.866 . . . . 0.0 112.955 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.51 -25.25 25.2 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.482 1.113 . . . . 0.0 113.271 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -136.54 105.1 5.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.949 1.3 . . . . 0.0 110.46 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -86.24 -1.72 57.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -151.2 57.08 2.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.473 1.509 . . . . 0.0 113.416 -170.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -68.87 153.83 72.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.201 1.934 . . . . 0.0 112.483 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -120.49 178.11 4.79 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.441 2.296 . . . . 0.0 110.262 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.17 -29.24 8.87 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.782 -1.199 . . . . 0.0 114.022 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.6 m -83.19 -44.64 14.81 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.627 0.771 . . . . 0.0 112.366 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.79 -35.51 44.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.15 0.98 . . . . 0.0 112.935 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.89 -46.51 81.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.184 0.994 . . . . 0.0 111.329 169.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -62.6 -42.35 99.52 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.924 -0.485 . . . . 0.0 111.32 174.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.95 -30.29 63.92 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.53 -31.98 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.984 1.266 . . . . 0.0 112.144 172.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.64 63.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.423 1.089 . . . . 0.0 112.881 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.56 -33.47 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.741 2.416 . . . . 0.0 113.929 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -114.03 6.67 16.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.8 1.24 . . . . 0.0 113.371 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.7 p -115.73 6.08 14.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.87 1.268 . . . . 0.0 113.185 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 58.85 38.3 24.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.453 1.501 . . . . 0.0 113.78 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.0 -178.28 3.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.875 1.67 . . . . 0.0 111.567 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -132.22 164.88 25.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.618 1.567 . . . . 0.0 109.568 168.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -30.79 67.4 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.988 -1.07 . . . . 0.0 113.263 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.55 87.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.422 1.089 . . . . 0.0 112.275 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -61.72 -45.32 94.47 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.375 -0.828 . . . . 0.0 110.425 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -64.83 -45.57 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.888 0.475 . . . . 0.0 110.76 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -54.82 -49.06 71.94 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.004 1.321 . . . . 0.0 111.301 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.804 1.241 . . . . 0.0 111.607 177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.47 -45.54 86.91 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.551 0.614 . . . . 0.0 112.35 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -68.99 -34.4 75.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.543 1.137 . . . . 0.0 111.976 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttpt -65.84 -43.85 87.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.0 0.92 . . . . 0.0 111.635 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 122.724 0.409 . . . . 0.0 111.495 169.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 CA--C 1.537 0.447 0 CA-C-O 121.23 0.538 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -91.49 160.12 15.59 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.933 0.893 . . . . 0.0 110.929 174.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -57.64 -19.42 26.34 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -95.76 -39.18 9.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.298 1.039 . . . . 0.0 112.474 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -56.79 -42.82 80.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.439 1.018 . . . . 0.0 110.926 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.32 -33.21 65.39 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.486 1.115 . . . . 0.0 113.235 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -70.31 -41.97 72.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.489 0.716 . . . . 0.0 111.332 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.15 -35.03 75.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.696 0.399 . . . . 0.0 111.186 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.9 mt -66.81 -51.18 58.72 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.719 1.208 . . . . 0.0 111.568 175.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.76 -26.76 65.39 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -47.04 33.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.784 0.72 . . . . 0.0 111.925 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -70.27 -26.18 63.7 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.286 -0.884 . . . . 0.0 112.39 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.29 -25.71 65.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.27 1.428 . . . . 0.0 112.857 171.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -74.66 -38.49 62.44 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.141 -0.974 . . . . 0.0 113.129 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.55 -25.43 25.03 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.372 1.069 . . . . 0.0 113.26 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -135.81 105.02 5.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.072 1.349 . . . . 0.0 109.745 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -84.42 -9.0 58.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -150.04 63.46 6.25 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.925 1.29 . . . . 0.0 112.423 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -67.69 151.8 78.64 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.671 2.248 . . . . 0.0 112.881 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.77 177.74 4.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.386 2.274 . . . . 0.0 110.561 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.22 -29.63 5.94 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -85.17 -43.89 13.42 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 0.0 112.277 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.44 -35.19 40.82 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.935 0.894 . . . . 0.0 113.112 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -56.12 -48.23 76.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.362 0.983 . . . . 0.0 111.058 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.89 -41.53 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.002 -0.436 . . . . 0.0 111.579 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.69 -30.93 63.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.43 -32.63 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.829 1.195 . . . . 0.0 111.861 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.61 -28.08 62.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.655 1.182 . . . . 0.0 113.059 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.55 -34.83 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 127.862 2.465 . . . . 0.0 113.971 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -112.75 5.95 17.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.77 1.228 . . . . 0.0 113.296 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -115.18 5.72 14.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.891 1.276 . . . . 0.0 113.151 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 58.45 41.98 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.657 1.583 . . . . 0.0 113.821 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.4 mt -118.42 -177.47 3.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.411 1.884 . . . . 0.0 111.568 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -132.69 165.31 24.78 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.862 1.665 . . . . 0.0 109.648 168.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.92 -30.11 67.58 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.599 -1.313 . . . . 0.0 113.742 -172.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.09 91.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.011 0.924 . . . . 0.0 111.981 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -60.54 -45.3 94.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.798 0.839 . . . . 0.0 111.23 172.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.51 -46.58 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.072 0.549 . . . . 0.0 110.272 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 ttt-85 -61.38 -42.1 98.18 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.944 0.897 . . . . 0.0 112.416 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.834 1.253 . . . . 0.0 111.447 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -63.89 -46.39 85.09 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.45 -0.781 . . . . 0.0 111.896 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -66.04 -31.14 71.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.993 0.917 . . . . 0.0 112.148 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.52 -47.5 78.62 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.348 1.059 . . . . 0.0 111.318 169.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 . . . . . 0 CA--C 1.539 0.549 0 O-C-N 121.802 -0.561 . . . . 0.0 111.846 179.667 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -96.54 157.87 15.7 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.305 -0.872 . . . . 0.0 110.579 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -63.31 -6.86 5.12 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -99.45 -41.02 7.58 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.495 1.518 . . . . 0.0 112.426 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -58.73 -44.55 90.48 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.335 0.97 . . . . 0.0 111.172 178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 mt -54.65 -33.32 60.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.876 1.27 . . . . 0.0 113.438 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -70.13 -41.28 74.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.482 0.713 . . . . 0.0 111.376 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -71.37 -32.24 68.26 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.994 0.518 . . . . 0.0 111.599 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.99 -51.02 60.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.184 0.994 . . . . 0.0 111.539 174.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.92 -24.9 63.44 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -45.56 31.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.748 0.703 . . . . 0.0 112.025 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -24.75 62.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.05 -1.031 . . . . 0.0 112.232 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -59.73 -23.38 63.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.598 1.559 . . . . 0.0 112.681 169.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -77.12 -38.72 51.52 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.113 -0.992 . . . . 0.0 113.125 176.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.42 -25.57 33.56 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.621 1.168 . . . . 0.0 112.873 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -140.53 109.38 6.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.81 1.244 . . . . 0.0 110.553 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -92.08 -0.13 57.46 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.987 0.915 . . . . 0.0 112.788 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -151.56 51.25 0.77 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.704 1.602 . . . . 0.0 113.279 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -67.8 148.89 77.95 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.995 1.797 . . . . 0.0 112.834 -174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -115.06 179.48 3.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.512 2.325 . . . . 0.0 110.452 -172.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ptm -52.53 -26.21 12.5 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.548 -1.345 . . . . 0.0 114.225 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.1 t -85.8 -46.09 10.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.984 0.914 . . . . 0.0 111.988 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -32.88 46.46 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.161 -0.962 . . . . 0.0 113.595 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -60.03 -44.81 94.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.669 -1.27 . . . . 0.0 111.578 168.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.79 -42.2 98.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.01 -0.432 . . . . 0.0 111.811 171.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.1 -39.0 63.08 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.805 0.842 . . . . 0.0 112.894 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.04 -32.84 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.963 0.801 . . . . 0.0 111.439 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.87 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.376 1.07 . . . . 0.0 112.809 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.57 -30.2 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.258 2.223 . . . . 0.0 114.055 -171.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -117.06 6.85 12.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.976 1.31 . . . . 0.0 113.463 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.09 5.99 15.04 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.649 1.179 . . . . 0.0 113.322 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.04 41.35 24.3 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.294 1.438 . . . . 0.0 113.07 -176.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -116.61 179.34 4.03 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.987 1.715 . . . . 0.0 111.351 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.34 161.94 25.89 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.064 1.346 . . . . 0.0 109.441 167.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -28.33 67.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.705 -1.247 . . . . 0.0 113.334 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.53 86.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.426 1.09 . . . . 0.0 112.561 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -59.92 -44.67 94.18 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.271 0.941 . . . . 0.0 110.978 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.44 -44.35 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.196 0.598 . . . . 0.0 110.465 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -57.28 -48.02 79.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.476 1.111 . . . . 0.0 111.64 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.51 -44.98 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.865 1.266 . . . . 0.0 111.53 177.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -64.47 -47.34 79.34 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.388 0.54 . . . . 0.0 111.618 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -65.37 -33.0 74.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.418 0.687 . . . . 0.0 112.116 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -66.19 -45.14 81.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.22 0.608 . . . . 0.0 111.317 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 . . . . . 0 CA--C 1.539 0.532 0 C-N-CA 122.78 0.432 . . . . 0.0 111.832 172.616 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.3 p -98.41 159.14 15.14 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.962 0.905 . . . . 0.0 111.142 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.8 m -61.29 -11.15 8.59 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -96.34 -40.67 9.01 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.33 1.452 . . . . 0.0 112.509 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.27 -43.43 96.19 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.319 -0.863 . . . . 0.0 111.491 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.8 -32.87 60.8 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.282 176.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -68.52 -40.4 80.8 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.467 0.707 . . . . 0.0 111.536 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -74.68 -29.75 61.33 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.334 0.654 . . . . 0.0 112.047 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.76 -49.49 58.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.722 1.209 . . . . 0.0 111.133 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.55 -25.0 63.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.1 -46.98 39.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.904 0.775 . . . . 0.0 112.284 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.433 HG21 HG21 ' P' ' 34' ' ' ILE . 1.8 t -70.59 -26.2 63.41 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.948 -1.095 . . . . 0.0 112.569 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -58.18 -26.29 62.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.399 1.48 . . . . 0.0 112.392 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -73.26 -40.61 64.48 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.377 -0.827 . . . . 0.0 112.97 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -82.22 -27.81 32.31 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.634 0.774 . . . . 0.0 112.784 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -139.98 102.14 4.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.002 1.321 . . . . 0.0 110.128 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -79.52 -14.11 59.09 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -152.25 70.09 7.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 125.411 1.484 . . . . 0.0 111.827 -175.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.61 170.04 14.63 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.131 2.554 . . . . 0.0 113.202 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.6 171.32 11.75 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.274 2.23 . . . . 0.0 109.398 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 24.7 ptm -49.05 -37.04 19.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.395 1.452 . . . . 0.0 113.892 -172.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.3 m -70.81 -38.08 73.29 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.678 0.791 . . . . 0.0 112.614 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.66 -33.45 27.74 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.492 1.117 . . . . 0.0 112.766 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -62.24 -43.67 98.29 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.793 1.237 . . . . 0.0 111.74 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.41 -41.5 98.74 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.784 -0.572 . . . . 0.0 111.699 171.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -54.07 -36.72 63.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.472 0.709 . . . . 0.0 112.875 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.433 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -85.75 -31.44 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.257 0.935 . . . . 0.0 111.915 177.082 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -28.48 63.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.542 1.137 . . . . 0.0 112.915 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.16 -31.0 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 127.329 2.252 . . . . 0.0 114.147 -172.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p-90 -116.28 7.12 13.92 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.031 1.332 . . . . 0.0 113.513 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -115.45 6.45 14.75 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.725 1.21 . . . . 0.0 113.381 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 t30 58.09 40.72 24.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.438 1.495 . . . . 0.0 113.601 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.76 -178.71 3.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.995 1.718 . . . . 0.0 111.407 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -130.84 163.94 26.29 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.742 1.617 . . . . 0.0 109.212 168.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -30.88 66.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.961 -1.087 . . . . 0.0 113.162 -171.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.7 82.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.769 1.228 . . . . 0.0 112.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -62.07 -44.46 96.64 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.178 -0.951 . . . . 0.0 110.492 171.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -64.9 -41.82 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.368 0.667 . . . . 0.0 110.619 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -59.18 -46.23 88.96 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.332 . . . . 0.0 112.186 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.96 -44.85 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.238 1.015 . . . . 0.0 111.691 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -63.21 -49.43 74.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.63 0.65 . . . . 0.0 111.939 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.71 -32.16 72.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.901 -0.499 . . . . 0.0 111.87 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -66.7 -35.91 81.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.962 0.905 . . . . 0.0 111.974 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 . . . . . 0 CA--C 1.542 0.642 0 CA-C-N 118.23 0.468 . . . . 0.0 111.702 168.785 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -98.29 160.36 14.34 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.37 1.068 . . . . 0.0 110.901 170.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -57.08 -20.16 23.57 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -94.76 -38.94 10.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 112.649 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -57.55 -41.11 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.43 1.013 . . . . 0.0 111.11 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.34 -32.59 66.88 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.817 1.247 . . . . 0.0 113.283 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -69.88 -40.53 75.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.511 0.724 . . . . 0.0 111.203 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.78 -35.08 74.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.855 0.462 . . . . 0.0 111.335 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.42 -50.25 64.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.73 1.212 . . . . 0.0 111.382 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.37 -22.78 62.73 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.61 -45.56 29.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.587 0.755 . . . . 0.0 112.272 172.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -25.54 62.4 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.996 -1.065 . . . . 0.0 112.208 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.67 -28.0 63.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.687 1.595 . . . . 0.0 112.422 169.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.39 -36.65 71.48 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.315 -0.866 . . . . 0.0 113.019 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -84.01 -28.02 27.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 112.825 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -141.51 106.75 4.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.186 . . . . 0.0 111.043 -172.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -85.39 -7.05 59.15 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -152.72 64.44 5.36 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 124.876 1.27 . . . . 0.0 112.216 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -67.49 151.95 79.25 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.78 2.32 . . . . 0.0 112.795 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -114.01 178.07 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.121 2.168 . . . . 0.0 110.609 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.9 ptm -51.39 -27.92 11.3 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.75 -1.219 . . . . 0.0 114.026 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -85.07 -43.85 13.54 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.767 0.827 . . . . 0.0 112.208 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.7 -33.62 40.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.954 0.902 . . . . 0.0 113.205 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.3 mtm-85 -60.02 -45.41 92.9 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.094 -1.004 . . . . 0.0 111.972 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.48 -42.99 99.62 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.032 -0.417 . . . . 0.0 111.643 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.04 -34.34 63.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -32.81 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.173 0.897 . . . . 0.0 111.807 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.56 68.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.442 1.097 . . . . 0.0 112.72 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -60.94 -31.28 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 127.325 2.25 . . . . 0.0 114.198 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -115.88 6.12 14.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.901 1.281 . . . . 0.0 113.522 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -113.85 5.74 16.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.705 1.202 . . . . 0.0 113.497 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.2 t30 57.92 40.31 25.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.334 1.454 . . . . 0.0 113.521 -175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -115.66 179.25 4.03 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.855 1.662 . . . . 0.0 111.271 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -126.57 161.54 27.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.085 1.354 . . . . 0.0 108.951 167.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -28.2 66.95 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.045 -1.034 . . . . 0.0 113.319 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.2 85.27 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.625 1.17 . . . . 0.0 112.688 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -60.72 -45.4 94.38 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.187 -0.946 . . . . 0.0 110.312 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -65.26 -43.37 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.362 0.665 . . . . 0.0 110.676 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -57.6 -46.08 84.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.89 1.276 . . . . 0.0 111.435 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.07 -46.01 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.42 1.088 . . . . 0.0 111.446 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -63.67 -48.49 76.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.541 0.61 . . . . 0.0 111.773 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -69.68 -22.9 63.39 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -73.47 -41.99 62.46 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.259 0.936 . . . . 0.0 111.321 169.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.347 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -97.28 158.16 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.197 0.999 . . . . 0.0 111.392 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.5 m -61.83 -8.4 4.84 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.45 -41.26 7.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.331 1.452 . . . . 0.0 112.422 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.21 0.913 . . . . 0.0 111.6 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.35 -32.08 64.36 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.01 1.324 . . . . 0.0 112.993 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -69.58 -41.11 76.23 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.614 0.766 . . . . 0.0 111.436 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.34 -32.6 66.64 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.241 0.616 . . . . 0.0 111.684 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.24 -52.06 51.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.32 1.048 . . . . 0.0 111.249 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.87 -22.82 62.25 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 -44.18 30.74 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.123 0.874 . . . . 0.0 112.134 172.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.412 HG21 HG21 ' P' ' 34' ' ' ILE . 0.7 OUTLIER -73.69 -24.85 60.01 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.127 -0.983 . . . . 0.0 112.513 178.802 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -54.45 -32.73 58.19 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.379 1.472 . . . . 0.0 111.565 168.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.38 -37.84 80.79 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -85.62 -27.3 25.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.212 1.005 . . . . 0.0 113.196 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -143.34 100.75 3.68 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.287 1.435 . . . . 0.0 110.023 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.02 -13.38 59.82 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.428 0.691 . . . . 0.0 112.72 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -148.69 66.58 9.04 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.09 1.356 . . . . 0.0 111.957 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -65.59 156.38 64.01 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.223 2.616 . . . . 0.0 112.577 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -115.22 175.63 5.42 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.15 2.18 . . . . 0.0 110.457 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.37 -29.96 7.01 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -82.96 -43.45 16.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.578 0.751 . . . . 0.0 112.572 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -34.54 52.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.958 0.903 . . . . 0.0 112.718 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.98 -47.01 81.78 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.827 1.251 . . . . 0.0 111.069 169.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.02 -41.12 97.54 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 122.115 -0.366 . . . . 0.0 111.222 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -30.48 63.6 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.412 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -88.81 -32.59 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.965 1.257 . . . . 0.0 112.01 172.558 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.4 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.513 1.125 . . . . 0.0 112.927 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.54 -32.94 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.656 2.382 . . . . 0.0 113.988 -173.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.16 6.75 15.17 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.819 1.248 . . . . 0.0 113.377 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 74.6 p -116.3 5.27 13.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.926 1.291 . . . . 0.0 113.157 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.51 42.07 21.55 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.503 1.521 . . . . 0.0 113.324 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -116.01 -176.37 2.93 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.07 1.748 . . . . 0.0 111.369 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -133.33 166.18 23.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.551 1.54 . . . . 0.0 110.04 169.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -35.4 64.15 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.138 -0.977 . . . . 0.0 112.759 -173.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.82 81.77 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.735 1.214 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -63.05 -43.6 98.19 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.329 -0.857 . . . . 0.0 111.107 173.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.9 t -67.2 -43.98 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.476 -0.297 . . . . 0.0 110.66 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -54.82 -49.7 70.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.492 1.117 . . . . 0.0 111.561 173.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -43.76 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.97 1.308 . . . . 0.0 111.518 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -65.3 -47.44 76.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.93 0.786 . . . . 0.0 111.913 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -66.85 -25.27 66.34 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -74.3 -44.07 54.17 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.077 0.951 . . . . 0.0 111.934 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 123.399 0.68 . . . . 0.0 112.804 175.226 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -94.26 157.79 15.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 0.0 111.46 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -61.67 -8.28 4.39 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -98.25 -42.35 7.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.292 1.437 . . . . 0.0 112.404 172.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.11 -43.67 91.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.189 0.904 . . . . 0.0 111.393 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.76 -31.52 62.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.245 1.418 . . . . 0.0 113.3 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -71.02 -42.47 69.53 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.291 0.637 . . . . 0.0 111.33 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -70.4 -34.3 72.37 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.147 0.579 . . . . 0.0 111.645 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.45 -51.09 62.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.537 1.135 . . . . 0.0 111.7 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -74.04 -19.98 60.45 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.23 -47.81 26.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.757 0.823 . . . . 0.0 112.167 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.442 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -69.66 -25.45 63.91 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.915 -1.116 . . . . 0.0 112.48 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.32 -25.39 61.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.635 1.574 . . . . 0.0 112.577 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -75.52 -38.63 59.26 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.384 -0.823 . . . . 0.0 113.05 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -82.99 -27.41 30.44 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.682 0.793 . . . . 0.0 112.834 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -139.76 104.52 4.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.744 1.218 . . . . 0.0 110.236 -174.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -85.47 -7.43 58.92 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -152.21 65.13 5.96 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.362 1.465 . . . . 0.0 111.71 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -67.85 155.35 70.16 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.641 2.228 . . . . 0.0 112.915 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -116.65 179.3 4.05 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.667 1.987 . . . . 0.0 110.693 -171.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.9 ptm -50.5 -31.46 15.46 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.56 -1.338 . . . . 0.0 113.744 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.6 m -82.84 -43.83 16.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.673 0.789 . . . . 0.0 111.822 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.84 34.09 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -59.47 -44.57 93.0 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.539 1.063 . . . . 0.0 111.843 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.52 -42.21 98.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.265 0.484 . . . . 0.0 111.723 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.15 -37.34 64.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.846 0.748 . . . . 0.0 112.851 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.442 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -85.0 -32.66 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.238 0.926 . . . . 0.0 111.824 177.118 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.92 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.395 1.078 . . . . 0.0 112.798 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.13 -30.89 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 127.266 2.226 . . . . 0.0 114.104 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -116.71 7.29 13.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.983 1.313 . . . . 0.0 113.52 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -115.0 6.51 15.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.683 1.193 . . . . 0.0 113.267 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.83 39.47 23.96 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.479 1.512 . . . . 0.0 113.167 -177.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.7 -178.79 3.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.071 1.749 . . . . 0.0 111.273 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -129.88 164.78 23.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.328 1.451 . . . . 0.0 109.91 168.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 -29.17 65.56 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.894 -1.128 . . . . 0.0 113.802 -173.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.11 78.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.435 1.094 . . . . 0.0 112.098 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -58.32 -43.99 88.43 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 0.0 111.119 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.01 -46.24 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 122.894 0.478 . . . . 0.0 110.644 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -60.32 -44.6 95.32 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.832 0.742 . . . . 0.0 112.301 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.74 -44.07 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.126 0.97 . . . . 0.0 111.585 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -64.82 -48.28 74.97 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.86 -0.525 . . . . 0.0 111.767 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -62.61 -33.53 75.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.759 0.823 . . . . 0.0 112.323 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.51 -48.26 73.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.645 0.778 . . . . 0.0 111.174 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 122.823 0.449 . . . . 0.0 111.606 174.442 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -98.3 158.27 15.67 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.219 1.008 . . . . 0.0 111.365 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -61.78 -9.44 6.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -97.46 -41.33 8.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.284 1.434 . . . . 0.0 112.472 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -59.95 -43.2 95.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.155 0.889 . . . . 0.0 111.571 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.8 mt -55.99 -31.36 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.093 1.357 . . . . 0.0 113.133 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -70.84 -42.44 70.17 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.389 0.675 . . . . 0.0 111.433 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.66 -34.46 72.05 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.094 0.558 . . . . 0.0 111.641 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.91 -51.87 59.57 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.488 1.115 . . . . 0.0 111.536 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.47 -23.43 61.04 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -46.24 32.61 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.83 0.741 . . . . 0.0 112.117 173.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.403 HG21 HG21 ' P' ' 34' ' ' ILE . 1.2 t -69.93 -27.98 65.21 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.238 -0.914 . . . . 0.0 112.176 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.11 -27.08 63.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.48 1.512 . . . . 0.0 112.976 170.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.15 -39.37 65.73 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.173 -0.955 . . . . 0.0 113.038 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -86.82 -23.96 25.15 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.416 1.086 . . . . 0.0 113.541 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -137.33 103.69 5.16 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.972 1.309 . . . . 0.0 110.135 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -80.2 -13.05 59.55 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.04 64.57 7.57 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 125.069 1.348 . . . . 0.0 113.033 -174.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.03 169.17 15.54 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.69 2.26 . . . . 0.0 112.155 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -140.31 -173.3 3.63 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.56 1.544 . . . . 0.0 110.724 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -48.87 -29.58 4.83 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -81.71 -34.76 30.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.76 0.709 . . . . 0.0 112.88 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.36 -34.79 14.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.689 1.196 . . . . 0.0 113.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -62.15 -43.01 99.78 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.807 1.643 . . . . 0.0 111.89 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -63.4 -42.94 98.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.446 0.566 . . . . 0.0 111.004 171.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.1 -31.89 65.74 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.403 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -86.04 -32.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 120.118 1.327 . . . . 0.0 112.261 172.425 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.75 -28.81 64.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.27 -33.31 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.868 2.467 . . . . 0.0 114.01 -173.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -114.94 7.14 15.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.804 1.241 . . . . 0.0 113.329 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -115.56 6.21 14.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.828 1.251 . . . . 0.0 113.233 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 58.25 40.95 24.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.589 1.556 . . . . 0.0 113.798 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.95 -177.92 3.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.12 1.768 . . . . 0.0 111.564 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -130.55 163.42 27.12 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.535 1.534 . . . . 0.0 109.375 167.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -32.38 68.3 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.966 -1.084 . . . . 0.0 113.192 -170.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.05 89.27 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.561 1.144 . . . . 0.0 112.344 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -61.0 -44.78 96.93 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.411 -0.806 . . . . 0.0 110.924 172.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.99 -42.31 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.133 0.573 . . . . 0.0 110.548 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -62.41 -44.85 95.45 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.637 1.175 . . . . 0.0 112.225 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.3 t -62.83 -44.26 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.784 1.234 . . . . 0.0 111.56 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -64.51 -48.64 74.38 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.463 0.574 . . . . 0.0 111.852 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.09 -33.52 76.23 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.955 0.502 . . . . 0.0 111.662 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -67.06 -38.7 86.26 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 111.858 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 122.536 0.335 . . . . 0.0 111.9 169.771 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.984 0.421 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -93.27 157.54 16.2 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.392 0.677 . . . . 0.0 111.111 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -62.56 -7.62 4.99 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -98.81 -41.7 7.52 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.256 1.422 . . . . 0.0 112.4 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -58.88 -44.1 91.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.304 0.956 . . . . 0.0 111.27 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -31.87 62.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.122 1.369 . . . . 0.0 113.337 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -71.72 -41.96 67.91 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.387 0.675 . . . . 0.0 111.436 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -70.36 -34.3 72.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.048 0.539 . . . . 0.0 111.555 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.5 mt -65.12 -51.89 58.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.45 1.1 . . . . 0.0 111.562 173.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.38 -20.69 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.39 -47.81 25.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.661 0.784 . . . . 0.0 112.024 170.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.039 -1.038 . . . . 0.0 112.327 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -58.02 -28.42 64.45 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.887 1.675 . . . . 0.0 112.905 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -72.31 -38.89 68.59 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.391 -0.818 . . . . 0.0 112.95 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -86.77 -25.59 24.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.463 1.105 . . . . 0.0 113.312 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -138.43 101.63 4.42 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.145 1.378 . . . . 0.0 109.845 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.3 -12.56 59.94 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 -176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -150.32 65.67 7.36 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.089 1.356 . . . . 0.0 112.033 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.68 152.07 82.75 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.055 2.503 . . . . 0.0 112.497 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -109.06 175.83 5.31 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.82 2.048 . . . . 0.0 110.046 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.7 ptm -49.63 -35.45 21.18 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.976 1.262 . . . . 0.0 113.006 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.3 m -75.88 -42.09 50.21 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.677 -0.64 . . . . 0.0 112.483 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.27 -34.29 37.12 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.827 0.851 . . . . 0.0 112.903 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -60.67 -44.74 96.12 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.558 1.143 . . . . 0.0 111.756 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.12 -43.57 98.68 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.245 0.475 . . . . 0.0 111.332 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.96 -30.58 66.11 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -32.23 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.895 1.225 . . . . 0.0 112.062 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.38 -29.57 66.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.491 1.116 . . . . 0.0 112.915 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.65 -32.27 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.831 2.452 . . . . 0.0 113.956 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -115.68 7.13 14.64 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.986 1.314 . . . . 0.0 113.435 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -115.45 6.42 14.75 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.667 1.187 . . . . 0.0 113.231 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.61 40.61 23.35 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.321 1.449 . . . . 0.0 113.018 -176.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -117.47 -179.09 3.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.163 1.785 . . . . 0.0 111.33 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -128.69 161.88 28.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.522 1.529 . . . . 0.0 109.257 167.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -27.64 67.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.547 -1.346 . . . . 0.0 113.57 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.18 91.07 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.259 1.024 . . . . 0.0 112.504 174.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -59.4 -45.62 91.0 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.407 -0.808 . . . . 0.0 110.893 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.9 -44.06 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.255 0.622 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -58.28 -47.28 84.15 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.637 1.175 . . . . 0.0 111.578 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.6 -46.57 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.002 1.321 . . . . 0.0 111.355 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -62.9 -47.58 82.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.931 0.492 . . . . 0.0 111.884 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.7 -32.41 73.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.276 0.63 . . . . 0.0 112.275 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -65.68 -44.97 84.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.512 0.725 . . . . 0.0 111.364 173.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 122.636 0.374 . . . . 0.0 111.817 175.234 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -99.18 158.34 15.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.322 1.049 . . . . 0.0 111.454 175.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -61.86 -9.97 8.11 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -95.81 -41.17 8.97 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.474 . . . . 0.0 112.48 172.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.9 -42.06 98.63 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.206 0.912 . . . . 0.0 111.552 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 mt -56.17 -31.68 63.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.105 1.362 . . . . 0.0 112.932 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -69.14 -41.78 76.86 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.696 0.798 . . . . 0.0 111.554 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -72.57 -34.05 67.2 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.989 0.515 . . . . 0.0 111.559 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.64 -51.2 63.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.335 1.054 . . . . 0.0 111.276 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.63 -29.4 67.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -38.29 59.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.131 0.878 . . . . 0.0 112.867 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 19' ' ' THR . . . . . 0.428 HG21 HG21 ' P' ' 34' ' ' ILE . 1.2 t -78.65 -24.39 45.23 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.556 -0.715 . . . . 0.0 112.344 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.05 -27.36 68.84 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.429 1.092 . . . . 0.0 112.599 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -70.24 -39.54 74.99 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.207 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -91.01 -22.01 20.99 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.489 1.115 . . . . 0.0 113.926 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -135.51 103.67 5.55 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.719 1.208 . . . . 0.0 110.029 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -81.9 -9.44 59.59 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -151.32 64.3 6.02 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.889 1.276 . . . . 0.0 112.553 -172.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -66.61 152.97 79.61 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.993 2.462 . . . . 0.0 112.408 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -114.7 178.33 4.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.344 2.257 . . . . 0.0 110.523 -173.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.0 ptm -51.58 -28.06 12.92 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.624 -1.298 . . . . 0.0 114.043 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -44.5 14.0 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.739 0.816 . . . . 0.0 112.161 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.45 -34.24 41.73 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.144 0.978 . . . . 0.0 113.27 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 81.2 mtm-85 -58.78 -46.1 88.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.159 0.983 . . . . 0.0 111.717 169.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.9 -43.2 98.84 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.004 -0.435 . . . . 0.0 111.419 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.66 -32.18 67.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 34' ' ' ILE . . . . . 0.428 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -85.33 -32.82 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.908 1.231 . . . . 0.0 111.925 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -29.9 67.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.54 1.136 . . . . 0.0 112.883 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.4 -32.93 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.867 2.467 . . . . 0.0 113.944 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -115.01 7.12 15.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.908 1.283 . . . . 0.0 113.461 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -115.41 5.94 14.67 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.147 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 57.86 40.85 25.58 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.649 1.58 . . . . 0.0 113.653 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -117.04 179.74 3.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.975 1.71 . . . . 0.0 111.589 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -126.22 163.55 22.92 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.127 1.371 . . . . 0.0 109.591 168.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -29.67 69.08 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.87 -1.144 . . . . 0.0 113.249 -171.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.97 70.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.973 1.309 . . . . 0.0 113.217 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -70.22 -38.42 75.25 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.055 0.843 . . . . 0.0 111.179 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 t -67.62 -47.36 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 174.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.66 -50.0 69.24 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.344 . . . . 0.0 111.623 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -70.37 -36.67 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.083 0.553 . . . . 0.0 112.232 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -65.04 -48.29 74.39 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.602 0.637 . . . . 0.0 111.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.03 -31.24 72.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.872 0.869 . . . . 0.0 112.357 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -69.76 -41.22 75.47 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.389 1.076 . . . . 0.0 111.855 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 173.377 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 112.029 -0.429 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 8.5 t -149.41 168.6 22.96 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.267 1.427 . . . . 0.0 111.554 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -73.23 143.47 47.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.416 1.086 . . . . 0.0 111.688 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -80.05 -17.2 53.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.438 1.095 . . . . 0.0 113.893 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -135.67 153.83 51.49 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.711 2.005 . . . . 0.0 110.929 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -79.81 82.68 5.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.285 1.034 . . . . 0.0 110.371 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -134.34 147.48 50.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.032 1.733 . . . . 0.0 111.49 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -85.32 51.35 2.16 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.103 1.361 . . . . 0.0 111.333 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 57.7 m80 58.96 -7.57 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.189 2.596 . . . . 0.0 116.662 -169.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -141.44 166.35 24.99 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.284 1.833 . . . . 0.0 111.993 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.8 p -107.01 160.62 15.4 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.176 1.391 . . . . 0.0 111.444 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -60.44 -11.66 7.43 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -95.8 -41.53 8.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.244 1.418 . . . . 0.0 112.548 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.91 -40.83 94.63 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.252 -0.905 . . . . 0.0 111.704 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.64 -30.06 65.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.954 1.302 . . . . 0.0 113.138 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -71.51 -41.18 69.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.427 0.691 . . . . 0.0 111.461 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -70.88 -33.09 70.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.049 0.539 . . . . 0.0 111.924 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.88 -51.32 62.65 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.336 1.055 . . . . 0.0 111.592 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.45 -20.06 60.8 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.02 -47.1 30.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.617 0.767 . . . . 0.0 111.935 169.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.436 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -71.23 -23.39 61.99 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.931 -1.106 . . . . 0.0 112.682 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.92 -23.53 61.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.523 1.529 . . . . 0.0 112.624 169.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -77.68 -38.43 47.53 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.296 -0.877 . . . . 0.0 113.013 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.2 -25.65 31.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.794 1.238 . . . . 0.0 113.021 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -140.55 107.64 5.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.886 1.274 . . . . 0.0 110.361 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -87.64 -6.97 58.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.615 0.766 . . . . 0.0 112.975 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -153.24 65.2 5.44 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.219 1.408 . . . . 0.0 111.987 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -67.73 154.83 72.18 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.446 2.098 . . . . 0.0 112.565 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -118.36 177.15 4.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.468 2.307 . . . . 0.0 110.185 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.6 ptm -48.08 -32.91 7.36 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.636 -1.29 . . . . 0.0 113.886 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 35.5 m -80.07 -42.0 24.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.322 0.649 . . . . 0.0 112.332 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -33.73 28.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.025 0.93 . . . . 0.0 113.104 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.32 -44.77 84.46 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.058 -1.026 . . . . 0.0 111.16 169.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.34 -42.39 92.92 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.243 0.474 . . . . 0.0 112.075 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -51.58 -40.92 60.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.805 0.842 . . . . 0.0 112.895 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.436 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -82.25 -32.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.968 0.804 . . . . 0.0 111.469 178.432 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.1 -28.21 64.16 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.83 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.28 -31.57 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 127.194 2.197 . . . . 0.0 114.121 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -115.7 5.78 14.32 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.854 1.262 . . . . 0.0 113.495 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -114.08 3.86 15.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 113.182 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t30 57.55 44.04 21.68 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.638 1.575 . . . . 0.0 113.639 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -117.24 -176.92 3.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.314 1.846 . . . . 0.0 111.243 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -130.5 162.25 29.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.976 1.311 . . . . 0.0 109.694 168.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.53 -29.99 64.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.36 88.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.019 0.928 . . . . 0.0 112.29 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -59.31 -46.46 88.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.887 0.875 . . . . 0.0 110.313 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.8 t -63.32 -45.44 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.011 0.525 . . . . 0.0 110.936 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -58.86 -46.53 87.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.874 0.869 . . . . 0.0 112.119 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.85 -43.78 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.017 1.327 . . . . 0.0 111.31 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.13 -49.51 71.89 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 122.794 0.438 . . . . 0.0 111.814 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -63.59 -32.97 74.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.682 0.793 . . . . 0.0 112.402 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -65.33 -48.7 72.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.638 0.775 . . . . 0.0 111.195 174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -64.53 -38.59 91.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.942 0.497 . . . . 0.0 111.584 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -68.22 -38.23 81.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 118.243 -0.884 . . . . 0.0 112.661 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -62.39 -42.2 99.24 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.23 0.923 . . . . 0.0 112.187 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.42 -32.59 74.07 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -82.36 -34.33 28.47 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.072 1.349 . . . . 0.0 113.134 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.36 -42.07 73.43 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.738 1.615 . . . . 0.0 110.938 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -63.49 -23.4 67.38 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -85.88 -31.24 22.32 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.596 1.158 . . . . 0.0 112.361 172.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -91.31 -24.19 19.9 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.344 1.858 . . . . 0.0 113.694 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 50.31 46.59 24.88 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.943 2.497 . . . . 0.0 112.688 -172.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -58.16 -37.88 75.53 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.843 1.257 . . . . 0.0 113.415 -173.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -131.61 137.56 48.45 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.394 1.878 . . . . 0.0 110.248 170.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.6 mm -142.43 139.04 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 127.331 2.252 . . . . 0.0 107.724 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.28 124.33 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.367 0.667 . . . . 0.0 110.053 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -100.78 -8.0 23.12 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.962 1.705 . . . . 0.0 113.812 177.663 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 34.0 m -68.11 143.32 55.49 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.279 1.032 . . . . 0.0 113.114 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -75.23 150.38 38.63 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.546 1.139 . . . . 0.0 111.763 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -104.22 -7.47 20.07 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -71.58 161.33 31.18 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.708 1.603 . . . . 0.0 112.673 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -132.34 99.16 4.59 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.321 1.448 . . . . 0.0 109.567 173.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -79.92 -20.34 45.96 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -175.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 10.7 m -91.94 134.72 34.54 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.857 1.263 . . . . 0.0 111.231 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -91.59 -3.98 55.83 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -134.48 165.1 25.97 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.575 1.95 . . . . 0.0 111.786 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -100.57 158.96 15.54 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.448 1.099 . . . . 0.0 111.237 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.6 m -61.23 -11.44 9.44 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.21 -40.76 9.02 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.271 1.428 . . . . 0.0 112.519 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.58 -42.27 96.37 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.271 -0.893 . . . . 0.0 111.654 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -55.8 -31.71 62.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.965 1.306 . . . . 0.0 113.197 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -69.49 -40.4 77.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -73.02 -31.0 64.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.354 0.661 . . . . 0.0 111.835 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.46 -51.08 55.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.389 1.076 . . . . 0.0 111.573 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.76 -23.88 63.44 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.24 -47.42 35.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.118 0.872 . . . . 0.0 112.222 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.417 HG21 HG21 ' P' ' 34' ' ' ILE . 1.9 t -70.91 -25.41 62.75 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.012 -1.055 . . . . 0.0 112.565 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -57.46 -29.44 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.307 1.443 . . . . 0.0 111.952 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -71.97 -39.51 69.29 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.431 -0.793 . . . . 0.0 113.088 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -82.69 -27.2 31.4 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.554 0.742 . . . . 0.0 112.812 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -138.63 101.05 4.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.658 1.183 . . . . 0.0 110.489 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -84.26 -4.98 59.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.948 0.899 . . . . 0.0 112.898 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -152.26 63.99 5.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.701 1.6 . . . . 0.0 112.078 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.67 156.27 66.06 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.558 2.172 . . . . 0.0 112.354 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -119.66 176.75 5.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.09 2.156 . . . . 0.0 110.433 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.0 ptm -49.68 -31.27 10.72 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.804 -1.185 . . . . 0.0 113.92 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.2 m -81.35 -42.6 20.27 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.512 0.725 . . . . 0.0 112.297 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.92 34.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.3 -46.01 79.99 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.363 0.983 . . . . 0.0 111.449 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.46 -40.6 89.49 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 119.058 -0.496 . . . . 0.0 112.181 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -52.15 -39.22 59.67 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.129 0.877 . . . . 0.0 112.868 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.417 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -83.21 -31.68 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.215 0.916 . . . . 0.0 111.812 178.012 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.33 -27.99 62.78 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.387 1.075 . . . . 0.0 112.939 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.79 -31.4 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.25 2.22 . . . . 0.0 114.04 -171.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -115.59 6.26 14.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.953 1.301 . . . . 0.0 113.618 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -114.75 5.05 15.16 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.6 1.16 . . . . 0.0 113.317 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 49.0 t30 57.42 42.76 24.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.446 1.498 . . . . 0.0 113.472 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.2 mt -116.09 -178.04 3.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.16 1.784 . . . . 0.0 111.033 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -131.39 167.81 18.65 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.446 1.498 . . . . 0.0 109.881 168.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.21 -41.94 50.6 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.559 1.072 . . . . 0.0 112.062 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.83 92.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.243 0.617 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 -58.34 -47.99 81.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.724 0.81 . . . . 0.0 111.314 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.63 -45.06 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 122.749 0.42 . . . . 0.0 110.965 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -57.98 -46.46 85.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.68 1.192 . . . . 0.0 111.312 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -62.27 -44.52 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.869 1.268 . . . . 0.0 111.712 175.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -65.74 -44.92 84.48 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.23 -33.04 72.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 111.986 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -67.08 -44.92 78.83 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.951 -1.093 . . . . 0.0 111.241 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -60.91 -33.77 73.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.237 0.615 . . . . 0.0 111.777 171.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -43.68 92.48 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.266 -0.896 . . . . 0.0 113.245 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -37.52 84.7 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.903 0.881 . . . . 0.0 111.246 173.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.52 72.32 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -80.28 -36.8 33.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.409 1.484 . . . . 0.0 113.038 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -55.91 -45.5 78.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.062 1.345 . . . . 0.0 112.153 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -60.98 -20.65 62.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -71.49 -18.96 62.26 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.634 1.174 . . . . 0.0 113.545 174.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 81.9 mmt-85 -130.19 -17.91 3.37 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.307 1.443 . . . . 0.0 114.559 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 54.88 43.41 30.0 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.776 1.631 . . . . 0.0 112.859 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.88 -38.09 84.44 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.36 1.064 . . . . 0.0 112.737 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -99.93 149.4 23.47 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.645 1.578 . . . . 0.0 110.268 168.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 mm -128.72 131.66 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.434 1.494 . . . . 0.0 109.395 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 49.4 t -81.86 127.41 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.36 1.064 . . . . 0.0 110.071 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 53.8 p -118.21 -13.09 9.9 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.329 1.852 . . . . 0.0 112.779 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 26.6 m 55.74 27.56 10.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.887 1.675 . . . . 0.0 115.479 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -139.59 155.79 47.25 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.999 1.719 . . . . 0.0 111.328 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -70.16 145.17 51.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.675 1.19 . . . . 0.0 111.502 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -65.09 153.41 40.88 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.742 1.217 . . . . 0.0 112.137 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -134.16 113.6 12.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.22 1.408 . . . . 0.0 109.754 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -102.51 173.28 6.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.769 1.628 . . . . 0.0 113.262 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m 67.47 146.73 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.365 2.266 . . . . 0.0 113.886 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -81.68 0.26 39.53 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -176.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -140.7 162.52 35.19 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.288 1.435 . . . . 0.0 112.533 -176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -103.02 160.16 14.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.106 1.362 . . . . 0.0 111.178 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.2 m -61.01 -11.53 8.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -95.35 -41.58 8.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.228 1.411 . . . . 0.0 112.48 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.25 -41.49 96.99 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.238 -0.914 . . . . 0.0 111.747 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.66 -30.49 63.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.068 1.347 . . . . 0.0 113.173 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -70.61 -42.0 71.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.471 0.709 . . . . 0.0 111.417 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -70.83 -34.14 71.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.235 0.614 . . . . 0.0 111.74 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.97 -51.42 61.83 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.298 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.18 -20.32 60.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.779 1.399 . . . . 0.0 114.779 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -46.85 29.35 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.7 0.682 . . . . 0.0 112.132 170.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -70.85 -26.72 63.39 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.119 -0.988 . . . . 0.0 112.292 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.56 -28.77 60.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.461 1.504 . . . . 0.0 112.768 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.6 -38.3 70.88 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.357 -0.839 . . . . 0.0 113.063 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -88.69 -23.39 23.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.679 1.192 . . . . 0.0 113.743 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -138.95 101.02 4.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.143 1.377 . . . . 0.0 109.919 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -80.23 -10.93 59.77 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -150.54 65.71 7.23 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.23 1.412 . . . . 0.0 111.968 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -66.49 156.94 63.03 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.017 2.478 . . . . 0.0 112.443 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -118.02 176.65 5.11 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.259 2.224 . . . . 0.0 110.539 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.4 -31.56 9.83 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.718 -1.239 . . . . 0.0 114.042 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.8 m -80.9 -43.58 19.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.459 0.703 . . . . 0.0 112.13 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.16 -35.52 41.83 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.928 0.891 . . . . 0.0 112.973 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -56.19 -47.47 78.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.439 1.096 . . . . 0.0 111.612 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -41.27 94.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.041 -0.412 . . . . 0.0 111.708 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.33 -32.17 64.42 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.33 -32.52 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 120.002 1.274 . . . . 0.0 111.979 172.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.93 65.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.468 1.107 . . . . 0.0 112.879 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.42 -34.05 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 127.824 2.45 . . . . 0.0 114.041 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -114.08 6.15 16.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.727 1.211 . . . . 0.0 113.412 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.3 p -114.45 4.57 15.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.748 1.219 . . . . 0.0 113.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.13 42.56 22.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.495 1.518 . . . . 0.0 113.078 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -116.77 -177.91 3.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.31 1.844 . . . . 0.0 111.252 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.5 t -130.94 167.2 19.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.343 1.457 . . . . 0.0 109.562 168.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.12 -42.04 49.81 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.115 0.871 . . . . 0.0 111.961 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.51 91.43 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.1 0.56 . . . . 0.0 112.027 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -61.02 -46.95 88.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.995 0.918 . . . . 0.0 110.817 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.91 -44.75 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.021 0.373 . . . . 0.0 111.274 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -58.55 -46.37 87.02 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.764 1.226 . . . . 0.0 111.327 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.678 1.191 . . . . 0.0 111.647 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -64.07 -49.08 73.69 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.48 0.582 . . . . 0.0 111.827 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.1 -32.08 73.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.243 0.617 . . . . 0.0 112.108 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -66.75 -39.48 87.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.022 0.929 . . . . 0.0 111.99 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -68.96 -43.0 75.89 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.006 -0.434 . . . . 0.0 111.986 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -63.6 -40.63 97.43 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.205 -0.934 . . . . 0.0 112.644 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -69.67 -32.07 70.49 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.751 0.705 . . . . 0.0 112.626 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.54 -31.64 68.77 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 173.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -79.58 -38.04 34.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.884 1.273 . . . . 0.0 113.112 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -54.58 -44.45 73.01 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.071 1.348 . . . . 0.0 112.024 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -60.8 -21.64 63.32 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.23 -23.24 57.53 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.295 1.038 . . . . 0.0 112.96 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -114.6 -22.44 9.77 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.872 1.669 . . . . 0.0 113.933 -174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 54.55 40.75 32.06 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.36 1.864 . . . . 0.0 113.223 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.47 -41.47 93.31 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.532 0.733 . . . . 0.0 112.475 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -97.88 144.5 27.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.51 1.524 . . . . 0.0 109.766 168.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.41 140.58 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.784 1.234 . . . . 0.0 110.539 -173.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 45.6 t -122.67 132.57 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.726 1.61 . . . . 0.0 109.42 171.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 52.3 p -108.59 -8.37 15.49 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.867 1.267 . . . . 0.0 114.358 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.98 1.712 . . . . 0.0 113.83 177.816 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 46.7 t -149.92 149.43 30.41 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.966 1.306 . . . . 0.0 112.05 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -75.61 -16.57 60.21 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.329 1.052 . . . . 0.0 112.847 170.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 61.61 -46.81 0.14 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 129.704 3.202 . . . . 0.0 117.137 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 61.83 164.64 0.09 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 128.423 2.689 . . . . 0.0 114.175 -171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -75.77 -32.57 59.99 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 61.58 -25.94 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 129.026 2.93 . . . . 0.0 117.015 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 56.3 m -131.92 137.29 47.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.545 1.938 . . . . 0.0 109.881 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -112.67 3.59 16.69 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -139.58 164.5 29.73 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.899 1.28 . . . . 0.0 112.613 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -104.4 160.3 15.02 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.052 1.341 . . . . 0.0 111.135 170.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.7 m -61.03 -11.81 9.56 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -95.36 -41.39 9.03 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.23 1.412 . . . . 0.0 112.482 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.79 -41.49 95.69 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.288 -0.882 . . . . 0.0 111.613 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.96 -30.64 64.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.988 1.315 . . . . 0.0 113.188 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -70.76 -41.31 71.92 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.445 0.698 . . . . 0.0 111.39 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.85 -32.52 67.58 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.19 0.596 . . . . 0.0 111.919 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.3 mt -65.69 -49.81 67.17 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 172.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.45 -16.82 60.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.98 -47.3 21.17 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.805 0.842 . . . . 0.0 112.176 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.433 HG21 HG21 ' P' ' 34' ' ' ILE . 2.4 t -70.12 -25.18 63.37 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.973 -1.08 . . . . 0.0 112.365 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.89 -28.21 55.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.738 1.615 . . . . 0.0 112.362 169.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -72.09 -37.73 69.51 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -86.33 -26.77 24.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.864 0.866 . . . . 0.0 113.131 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -142.33 103.96 4.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.012 1.325 . . . . 0.0 110.225 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -81.09 -11.47 59.49 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -151.05 66.71 7.38 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.134 1.374 . . . . 0.0 111.99 -172.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -66.93 156.34 66.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.127 2.551 . . . . 0.0 112.737 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -117.42 177.27 4.8 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.205 2.202 . . . . 0.0 110.83 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.2 ptm -50.15 -28.99 8.25 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.628 -1.295 . . . . 0.0 114.111 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 31.8 p -80.74 -50.4 9.92 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.113 1.365 . . . . 0.0 112.702 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.38 -33.85 61.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.226 1.01 . . . . 0.0 113.147 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -58.36 -47.17 84.68 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.243 1.017 . . . . 0.0 111.397 169.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.05 -41.99 99.62 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.913 -0.492 . . . . 0.0 111.323 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.58 -36.05 61.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.433 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -86.77 -31.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.636 1.107 . . . . 0.0 111.969 176.073 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.52 63.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.318 1.047 . . . . 0.0 112.668 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.32 -31.7 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 127.294 2.238 . . . . 0.0 114.144 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -115.97 6.19 14.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.831 1.252 . . . . 0.0 113.479 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 76.5 p -114.83 5.23 15.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.717 1.207 . . . . 0.0 113.238 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.88 42.91 22.36 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.595 1.558 . . . . 0.0 113.708 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -117.19 -178.53 3.47 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.096 1.758 . . . . 0.0 111.463 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.0 t -130.7 164.7 24.48 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.446 1.498 . . . . 0.0 109.618 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -31.18 67.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.875 -1.141 . . . . 0.0 113.104 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.54 85.11 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.479 1.112 . . . . 0.0 112.441 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -62.29 -44.79 95.71 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.328 -0.858 . . . . 0.0 110.421 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.39 -44.39 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.526 0.33 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -55.76 -48.24 75.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.949 1.3 . . . . 0.0 111.372 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.749 1.22 . . . . 0.0 111.531 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.9 -47.44 77.77 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.058 0.845 . . . . 0.0 112.195 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.65 -24.09 64.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.567 0.747 . . . . 0.0 112.794 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -74.45 -37.24 63.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.472 1.109 . . . . 0.0 111.991 169.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -69.17 -38.84 78.92 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.541 -0.724 . . . . 0.0 112.38 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -64.49 -41.67 96.31 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.912 -1.117 . . . . 0.0 112.522 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -69.45 -32.55 71.55 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.03 -41.86 90.38 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.606 0.639 . . . . 0.0 111.513 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -65.78 -35.92 82.07 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.364 1.066 . . . . 0.0 111.753 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -61.35 -49.98 74.76 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.333 0.515 . . . . 0.0 110.958 168.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.68 -25.42 67.39 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -67.85 -26.72 66.18 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.122 0.969 . . . . 0.0 113.422 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -108.98 -24.33 11.27 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.39 1.476 . . . . 0.0 114.189 -175.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 54.01 40.09 31.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.226 1.81 . . . . 0.0 113.597 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.82 -23.84 66.09 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.158 0.983 . . . . 0.0 113.377 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -133.73 152.88 51.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.76 2.424 . . . . 0.0 109.668 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 43.8 mm -122.78 132.61 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.847 1.259 . . . . 0.0 110.944 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -105.19 131.81 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.559 1.544 . . . . 0.0 109.382 172.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 51.2 p -113.73 -14.93 12.53 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -173.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.193 1.797 . . . . 0.0 112.87 179.726 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 16.8 m -64.08 -13.14 45.27 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -70.2 -22.02 62.97 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.388 1.075 . . . . 0.0 112.915 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -91.52 148.28 22.4 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.037 1.335 . . . . 0.0 111.793 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -87.43 143.35 27.27 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.992 1.317 . . . . 0.0 111.302 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -84.31 100.87 11.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.352 0.661 . . . . 0.0 110.812 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -86.03 165.15 16.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.834 1.254 . . . . 0.0 111.032 169.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 25.7 m 57.44 104.55 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.356 2.262 . . . . 0.0 114.951 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -74.54 -22.6 58.94 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.98 156.74 39.27 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.288 1.035 . . . . 0.0 112.596 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -96.84 158.09 15.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.117 0.967 . . . . 0.0 111.368 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -61.92 -8.67 5.4 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -97.96 -41.59 7.92 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.352 1.461 . . . . 0.0 112.399 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.73 -42.66 93.63 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.154 0.888 . . . . 0.0 111.523 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.01 -30.67 64.38 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.026 1.33 . . . . 0.0 113.216 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -71.1 -41.4 70.65 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.373 0.669 . . . . 0.0 111.314 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -71.3 -33.18 69.47 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.154 0.582 . . . . 0.0 111.861 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.74 -50.13 65.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.322 1.049 . . . . 0.0 111.503 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -74.72 -18.44 60.5 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -47.1 27.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.825 0.85 . . . . 0.0 112.024 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.445 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -70.11 -25.38 63.47 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.9 -1.125 . . . . 0.0 112.482 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.95 -27.24 60.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.498 1.519 . . . . 0.0 112.595 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -72.95 -38.73 66.65 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.459 -0.776 . . . . 0.0 113.0 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -84.38 -27.26 27.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.695 0.798 . . . . 0.0 113.015 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -141.57 103.15 4.33 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.004 1.322 . . . . 0.0 110.125 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -80.87 -12.08 59.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -150.95 66.81 7.5 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 125.264 1.426 . . . . 0.0 111.79 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.51 151.95 81.87 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.213 2.609 . . . . 0.0 113.417 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -110.93 177.42 4.67 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 126.872 2.069 . . . . 0.0 111.106 -170.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.08 -26.04 14.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.514 -1.366 . . . . 0.0 114.166 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -86.04 -46.61 10.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.11 0.964 . . . . 0.0 111.81 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -34.49 54.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.65 1.114 . . . . 0.0 111.758 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.57 0.348 . . . . 0.0 111.654 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.98 -38.62 65.23 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.93 0.892 . . . . 0.0 112.881 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.445 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -83.69 -32.19 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 119.088 0.858 . . . . 0.0 111.688 177.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.76 67.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.216 1.006 . . . . 0.0 112.658 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.23 -30.82 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.205 2.202 . . . . 0.0 114.135 -171.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -116.71 7.11 13.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.007 1.323 . . . . 0.0 113.512 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -114.84 6.0 15.34 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.616 1.166 . . . . 0.0 113.371 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.7 t30 58.25 40.71 24.42 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.448 1.499 . . . . 0.0 113.629 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.29 179.8 3.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.975 1.71 . . . . 0.0 111.3 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.21 160.88 28.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.817 1.247 . . . . 0.0 109.278 167.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.84 -28.48 67.53 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.846 -1.159 . . . . 0.0 113.397 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.82 89.52 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.735 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -60.65 -44.16 96.75 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.6 -45.19 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.99 0.516 . . . . 0.0 109.996 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -59.95 -44.16 94.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.086 0.955 . . . . 0.0 112.244 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.55 -45.42 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.803 1.241 . . . . 0.0 111.586 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.57 -47.13 82.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.278 0.49 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -65.86 -32.21 73.59 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.451 0.7 . . . . 0.0 112.599 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -66.79 -37.84 85.33 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.966 0.906 . . . . 0.0 111.782 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -71.37 -43.47 66.84 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 169.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -63.25 -40.55 97.75 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.079 0.952 . . . . 0.0 112.582 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -67.02 -33.15 74.93 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.696 0.68 . . . . 0.0 112.423 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.4 76.8 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.817 -0.552 . . . . 0.0 111.257 172.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.28 -32.76 74.58 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.99 0.916 . . . . 0.0 112.332 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -64.16 -51.9 61.63 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.924 0.89 . . . . 0.0 111.049 169.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -61.33 -25.71 67.32 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -64.26 -27.25 68.92 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.402 1.081 . . . . 0.0 113.609 171.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -116.67 -22.98 8.37 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.352 1.461 . . . . 0.0 114.371 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 55.27 39.82 31.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.51 1.924 . . . . 0.0 113.432 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.88 -27.93 69.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.686 1.195 . . . . 0.0 113.672 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -122.51 148.4 45.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.134 2.173 . . . . 0.0 110.013 171.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 56.4 mt -135.46 132.41 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.839 1.255 . . . . 0.0 109.754 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -86.91 125.47 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.656 1.182 . . . . 0.0 109.43 172.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 61.3 p -120.95 -14.26 8.48 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -171.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.834 1.654 . . . . 0.0 114.31 178.547 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 18.5 m -70.77 -30.65 67.2 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.094 0.958 . . . . 0.0 113.574 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -78.87 127.28 31.82 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.715 0.806 . . . . 0.0 109.807 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -101.82 2.85 38.76 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -170.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -64.85 150.97 46.67 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.295 1.838 . . . . 0.0 112.885 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -91.42 -23.16 20.11 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.519 1.128 . . . . 0.0 113.377 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -137.29 175.62 9.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.036 1.734 . . . . 0.0 112.036 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -59.77 134.0 56.62 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.066 1.346 . . . . 0.0 110.955 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -2.82 58.77 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -173.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -116.91 156.96 26.48 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.176 1.79 . . . . 0.0 110.861 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -94.35 158.0 15.77 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.825 0.85 . . . . 0.0 111.681 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.5 m -63.6 -7.17 6.54 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -91.25 -44.54 9.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.219 1.007 . . . . 0.0 111.174 169.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.98 -45.39 92.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.861 0.864 . . . . 0.0 111.516 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.26 -32.29 66.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.948 1.299 . . . . 0.0 112.876 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -75.29 -37.39 60.9 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.84 -33.65 72.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.518 0.599 . . . . 0.0 111.8 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.9 -51.3 57.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.413 1.085 . . . . 0.0 111.687 174.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.17 -23.78 63.04 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.5 -47.72 25.77 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.952 0.796 . . . . 0.0 112.189 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.11 -27.69 65.81 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.184 -0.947 . . . . 0.0 112.088 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -57.11 -28.48 62.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.691 1.596 . . . . 0.0 112.873 170.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -71.61 -38.8 70.78 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.009 0.822 . . . . 0.0 113.035 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -89.74 -23.46 21.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.368 1.067 . . . . 0.0 113.733 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -138.75 101.78 4.41 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.078 1.351 . . . . 0.0 109.57 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -79.98 -12.37 59.72 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -150.24 65.78 7.48 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 125.13 1.372 . . . . 0.0 112.072 -173.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -65.68 152.43 81.71 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.069 2.513 . . . . 0.0 112.683 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -113.53 178.19 4.37 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.101 2.16 . . . . 0.0 110.794 -171.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.7 ptm -52.19 -26.55 11.84 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.562 -1.336 . . . . 0.0 114.315 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -85.27 -47.39 10.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.818 0.847 . . . . 0.0 111.814 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -34.9 59.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.181 -0.949 . . . . 0.0 113.427 -177.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -59.6 -45.6 91.41 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.367 0.985 . . . . 0.0 112.006 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.74 -44.05 97.15 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.102 0.41 . . . . 0.0 111.188 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.83 -31.28 66.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.66 -32.2 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.963 1.256 . . . . 0.0 112.069 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.02 67.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 112.933 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.83 -32.2 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.764 2.426 . . . . 0.0 113.934 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -115.6 7.48 14.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.94 1.296 . . . . 0.0 113.461 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.55 6.67 14.69 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.682 1.193 . . . . 0.0 113.236 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.24 39.63 25.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.312 1.445 . . . . 0.0 113.077 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.26 -179.73 3.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.132 1.773 . . . . 0.0 111.342 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -127.05 162.03 26.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.25 1.42 . . . . 0.0 109.294 167.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -28.21 68.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.619 -1.301 . . . . 0.0 113.438 -172.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.16 87.71 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.318 1.047 . . . . 0.0 112.532 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -60.3 -44.88 95.02 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.317 -0.864 . . . . 0.0 111.046 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.27 -44.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.091 0.556 . . . . 0.0 110.28 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -57.43 -48.25 79.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.587 1.155 . . . . 0.0 111.537 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.84 -44.81 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.906 1.282 . . . . 0.0 111.613 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.41 -47.08 80.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.391 0.541 . . . . 0.0 111.603 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.92 -32.68 74.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.245 0.618 . . . . 0.0 112.309 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -66.19 -41.54 90.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.014 0.926 . . . . 0.0 111.537 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -67.84 -40.96 83.65 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 122.12 -0.363 . . . . 0.0 111.951 170.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -66.49 -38.36 87.1 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.04 -1.037 . . . . 0.0 113.121 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -71.17 -33.0 69.58 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.282 0.633 . . . . 0.0 112.375 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.92 -32.3 72.66 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -79.51 -37.64 36.22 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.856 1.263 . . . . 0.0 113.193 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -54.4 -44.16 72.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.848 1.259 . . . . 0.0 111.98 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -61.54 -24.05 66.37 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -175.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -80.01 -28.86 39.35 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.398 1.079 . . . . 0.0 112.505 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -94.69 -30.61 14.21 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.97 1.708 . . . . 0.0 113.596 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 55.31 45.07 26.32 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.624 1.97 . . . . 0.0 113.16 -172.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -62.07 -28.41 69.59 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.287 1.435 . . . . 0.0 113.274 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -136.93 152.69 50.47 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.86 2.464 . . . . 0.0 109.898 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 42.7 mm -123.96 129.14 74.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.042 1.337 . . . . 0.0 109.989 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 49.9 t -86.67 127.39 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.419 1.087 . . . . 0.0 109.533 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -116.23 -12.7 11.15 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.181 1.793 . . . . 0.0 112.818 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 14.8 m -65.5 133.37 51.11 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.247 1.019 . . . . 0.0 112.749 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -66.72 -22.4 66.06 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -74.44 -8.77 57.39 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.92 150.89 48.58 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.646 1.178 . . . . 0.0 111.963 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -135.58 107.85 7.28 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.375 1.47 . . . . 0.0 109.624 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -82.34 45.44 0.95 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.58 1.552 . . . . 0.0 113.453 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m 65.11 136.65 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.106 2.562 . . . . 0.0 114.791 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -93.11 -28.55 16.26 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -116.42 158.15 23.98 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.705 1.202 . . . . 0.0 112.466 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -97.19 157.93 15.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.913 0.885 . . . . 0.0 111.352 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -62.06 -8.25 5.11 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -98.22 -41.35 7.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.411 1.485 . . . . 0.0 112.489 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.29 -43.06 96.59 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.228 -0.92 . . . . 0.0 111.509 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.0 mt -55.96 -32.23 63.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.005 1.322 . . . . 0.0 113.2 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -68.95 -41.17 78.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.458 0.703 . . . . 0.0 111.563 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.17 -31.29 64.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.172 0.589 . . . . 0.0 111.804 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.64 -49.97 60.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.365 1.066 . . . . 0.0 111.422 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.96 -24.8 63.4 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.29 -47.0 29.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.547 0.739 . . . . 0.0 112.323 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.445 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -70.57 -24.91 62.86 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.032 -1.042 . . . . 0.0 112.386 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -58.94 -24.83 62.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.079 1.352 . . . . 0.0 112.704 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.07 -39.1 63.7 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.252 -0.905 . . . . 0.0 113.001 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -83.6 -27.35 29.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.682 0.793 . . . . 0.0 112.886 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -139.05 105.62 5.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.827 1.251 . . . . 0.0 110.464 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -84.95 -8.81 58.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.19 65.88 6.31 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.035 1.334 . . . . 0.0 111.872 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -67.52 151.34 79.91 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.92 2.413 . . . . 0.0 113.137 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.99 177.67 4.57 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.875 2.07 . . . . 0.0 110.879 -170.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.15 -25.85 14.86 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.596 -1.315 . . . . 0.0 114.136 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -86.09 -46.31 10.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.146 0.978 . . . . 0.0 111.811 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -34.34 50.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.46 -45.39 91.75 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.622 1.101 . . . . 0.0 111.748 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -61.21 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 122.08 -0.387 . . . . 0.0 111.732 171.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.03 -38.95 65.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.864 0.866 . . . . 0.0 112.833 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.445 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -82.98 -32.69 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.149 0.886 . . . . 0.0 111.579 177.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.85 67.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.438 1.095 . . . . 0.0 112.628 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.13 -30.41 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.406 2.282 . . . . 0.0 114.144 -171.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -117.19 7.59 13.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.906 1.282 . . . . 0.0 113.449 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -115.37 6.33 14.82 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.58 40.44 23.65 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.33 1.452 . . . . 0.0 113.023 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.29 -179.61 3.76 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.099 1.76 . . . . 0.0 111.351 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -126.65 161.7 27.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.173 1.389 . . . . 0.0 109.315 167.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.2 -28.41 67.96 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.642 -1.286 . . . . 0.0 113.587 -172.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.06 91.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.593 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -59.95 -44.45 94.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.837 0.855 . . . . 0.0 111.195 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.1 -45.14 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.198 0.599 . . . . 0.0 109.914 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -59.9 -43.62 94.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.961 0.904 . . . . 0.0 112.29 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.07 -44.94 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.805 1.242 . . . . 0.0 111.598 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -64.33 -47.08 80.76 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.889 0.768 . . . . 0.0 111.812 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.09 -28.07 68.55 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.991 0.917 . . . . 0.0 112.865 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -70.42 -44.38 68.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.259 1.023 . . . . 0.0 111.635 170.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -64.67 -35.34 80.71 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.018 -0.427 . . . . 0.0 111.932 173.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 43.9 tpt85 -67.12 -39.97 86.75 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.01 -1.056 . . . . 0.0 113.798 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -74.52 -31.83 62.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.181 0.592 . . . . 0.0 112.258 174.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.5 97.77 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.044 0.384 . . . . 0.0 111.294 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -69.48 -35.24 75.4 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.538 1.135 . . . . 0.0 112.196 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -59.91 -48.14 82.91 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.679 0.672 . . . . 0.0 111.188 168.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -61.82 -22.45 65.48 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -66.78 -25.09 66.3 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 119.347 0.976 . . . . 0.0 113.286 169.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -115.36 -24.73 8.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.609 1.564 . . . . 0.0 114.13 -173.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 54.77 38.44 30.17 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.518 1.927 . . . . 0.0 113.757 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -67.91 -43.99 77.96 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.48 -0.762 . . . . 0.0 112.325 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -93.75 152.37 18.98 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.239 1.415 . . . . 0.0 110.357 168.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 36.5 mm -130.39 130.82 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.416 1.486 . . . . 0.0 109.592 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 61.5 t -81.43 132.2 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.601 1.16 . . . . 0.0 110.298 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 46.7 p -110.86 -16.29 13.59 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.099 1.76 . . . . 0.0 112.863 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 21.4 m -64.05 138.75 58.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.328 1.051 . . . . 0.0 113.062 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -78.07 6.68 7.42 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.435 1.494 . . . . 0.0 114.584 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -73.66 26.49 0.07 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 126.983 2.113 . . . . 0.0 115.791 -174.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -85.03 153.79 22.51 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.099 1.759 . . . . 0.0 111.852 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -96.09 -15.88 21.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.795 1.238 . . . . 0.0 113.918 -171.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -92.64 144.47 25.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.919 1.288 . . . . 0.0 112.23 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 39.2 m -83.19 134.15 34.99 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.745 1.218 . . . . 0.0 111.053 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -74.33 -46.75 38.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.693 0.797 . . . . 0.0 112.811 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -75.51 156.89 34.7 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -169.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 p -100.05 158.81 15.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.923 1.289 . . . . 0.0 111.685 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.3 m -63.11 -6.54 4.27 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -92.01 -44.04 9.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.188 0.995 . . . . 0.0 111.255 169.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.0 -43.96 94.09 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.344 -0.847 . . . . 0.0 111.599 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.23 -31.82 67.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.022 1.329 . . . . 0.0 112.845 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -74.66 -38.31 62.47 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.329 0.652 . . . . 0.0 112.255 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -69.99 -34.76 73.77 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.778 0.717 . . . . 0.0 111.745 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.9 mt -65.5 -51.74 57.78 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.349 1.06 . . . . 0.0 111.456 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.17 -18.36 60.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.7 -47.34 19.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.565 0.746 . . . . 0.0 112.034 169.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.69 -26.92 64.6 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.012 -1.055 . . . . 0.0 112.305 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -55.36 -29.27 58.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.938 1.695 . . . . 0.0 112.831 169.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.93 -36.69 67.27 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -89.42 -23.91 22.03 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.666 1.186 . . . . 0.0 113.693 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -138.74 102.14 4.5 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.144 1.378 . . . . 0.0 109.701 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -81.12 -10.59 59.63 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -150.88 65.77 7.03 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.069 1.347 . . . . 0.0 112.172 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -67.07 155.86 68.93 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.961 2.44 . . . . 0.0 112.599 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -117.76 176.94 4.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.16 2.184 . . . . 0.0 110.494 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.11 -29.88 9.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.696 -1.252 . . . . 0.0 114.019 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -82.82 -43.13 17.03 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.415 0.686 . . . . 0.0 112.499 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.07 -35.02 43.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.922 0.889 . . . . 0.0 112.865 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -57.38 -46.92 82.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.367 1.067 . . . . 0.0 111.382 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.15 -42.7 99.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.215 0.461 . . . . 0.0 111.14 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.97 -30.66 64.29 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -32.94 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 120.079 1.309 . . . . 0.0 112.115 172.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.07 65.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 112.705 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.54 -32.6 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 127.736 2.415 . . . . 0.0 113.979 -173.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.68 7.51 14.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.857 1.263 . . . . 0.0 113.338 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -115.88 6.69 14.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.889 1.276 . . . . 0.0 113.157 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.38 40.22 24.51 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.59 1.556 . . . . 0.0 113.902 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -118.11 -177.22 3.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.147 1.779 . . . . 0.0 111.852 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.8 t -132.98 165.52 24.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.781 1.632 . . . . 0.0 109.707 168.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -31.21 68.13 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.023 -1.048 . . . . 0.0 113.268 -171.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.88 -37.54 86.41 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.256 1.022 . . . . 0.0 112.127 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -63.59 -44.09 95.06 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.821 0.848 . . . . 0.0 110.979 173.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.53 -44.72 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 122.762 0.425 . . . . 0.0 110.65 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.69 -49.69 72.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.951 1.301 . . . . 0.0 111.344 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.697 1.199 . . . . 0.0 111.533 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.76 -47.03 79.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.515 0.598 . . . . 0.0 111.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -68.42 -24.14 64.71 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.017 0.927 . . . . 0.0 113.117 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -75.74 -36.12 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.651 1.18 . . . . 0.0 111.893 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -71.93 -40.81 68.49 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.898 -0.501 . . . . 0.0 111.963 169.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -64.26 -37.94 89.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.821 -173.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -65.62 -32.36 73.9 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.737 1.153 . . . . 0.0 113.28 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.15 -33.99 65.82 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.532 -0.73 . . . . 0.0 112.497 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -79.28 -36.69 39.38 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.194 0.997 . . . . 0.0 113.098 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -51.91 -43.12 63.25 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.468 1.907 . . . . 0.0 111.448 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.67 -20.43 60.89 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -91.72 -10.65 39.37 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.207 1.403 . . . . 0.0 114.006 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -113.87 -21.88 10.42 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.362 1.465 . . . . 0.0 114.071 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 51.15 56.27 8.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.831 2.053 . . . . 0.0 112.278 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.42 -16.69 63.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.899 1.279 . . . . 0.0 114.443 -173.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -98.34 139.99 33.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.523 1.529 . . . . 0.0 112.01 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 36.4 mm -133.13 134.7 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.291 1.837 . . . . 0.0 109.266 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.25 131.77 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.361 1.065 . . . . 0.0 110.233 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 49.2 p -105.3 -7.69 18.73 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.973 1.709 . . . . 0.0 113.908 177.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.473 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m 55.41 32.36 18.69 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.663 1.585 . . . . 0.0 115.245 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -93.52 -12.5 29.5 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -81.66 -21.53 38.09 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -174.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -60.61 141.71 56.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.375 1.47 . . . . 0.0 112.329 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -99.25 1.25 44.53 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.847 1.259 . . . . 0.0 114.033 -172.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.16 15.6 5.36 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.096 2.159 . . . . 0.0 115.642 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . 0.256 2.8 t 53.25 172.35 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 129.246 3.019 . . . . 0.0 116.763 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -80.54 -52.75 7.25 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.092 1.357 . . . . 0.0 110.91 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -148.4 158.94 44.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.797 1.639 . . . . 0.0 111.208 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p -98.94 159.34 15.03 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.398 1.079 . . . . 0.0 111.256 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.9 m -61.29 -10.16 6.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -96.77 -41.51 8.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.262 1.425 . . . . 0.0 112.484 172.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.52 -41.72 94.96 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.25 -0.906 . . . . 0.0 111.671 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.7 mt -57.08 -30.74 64.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.113 1.365 . . . . 0.0 113.199 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -71.09 -40.99 71.2 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.371 0.669 . . . . 0.0 111.339 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -71.83 -32.36 67.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.252 0.621 . . . . 0.0 111.945 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.66 -50.38 65.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.396 1.078 . . . . 0.0 111.521 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.21 -17.19 60.93 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.15 -47.05 25.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.551 0.74 . . . . 0.0 112.042 169.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.424 HG21 HG21 ' P' ' 34' ' ' ILE . 2.5 t -70.25 -25.18 63.25 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.028 -1.045 . . . . 0.0 112.357 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.98 -32.98 62.09 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.131 1.372 . . . . 0.0 111.881 169.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -68.32 -36.9 79.98 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.46 -0.775 . . . . 0.0 113.044 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -86.32 -26.97 24.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.985 0.914 . . . . 0.0 113.095 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -143.14 102.32 3.97 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.835 1.254 . . . . 0.0 110.865 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -81.02 -8.85 59.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.692 0.797 . . . . 0.0 113.056 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -151.79 65.39 6.32 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.198 1.399 . . . . 0.0 111.968 -174.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -66.66 152.84 79.84 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.099 2.532 . . . . 0.0 113.016 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -112.96 177.27 4.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.894 2.078 . . . . 0.0 110.764 -171.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.1 ptm -51.66 -27.97 13.15 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.665 -1.272 . . . . 0.0 114.125 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 32.6 m -84.3 -44.0 14.26 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.77 0.828 . . . . 0.0 112.164 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -34.13 40.38 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.029 0.932 . . . . 0.0 113.151 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -59.86 -45.29 92.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.078 -1.014 . . . . 0.0 111.964 170.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.66 -43.54 98.66 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.047 -0.408 . . . . 0.0 111.564 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.9 -37.3 63.63 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.668 0.787 . . . . 0.0 112.957 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.424 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -85.05 -32.21 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.213 0.915 . . . . 0.0 111.934 177.04 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.04 -29.3 67.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.145 0.978 . . . . 0.0 112.622 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.39 -30.85 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 127.31 2.244 . . . . 0.0 114.183 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -116.66 6.77 13.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.871 1.268 . . . . 0.0 113.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -114.4 5.84 15.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.617 1.167 . . . . 0.0 113.366 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 57.81 41.19 25.31 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.433 1.493 . . . . 0.0 113.525 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -116.56 -179.87 3.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.034 1.734 . . . . 0.0 111.285 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -127.46 161.35 28.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.144 1.378 . . . . 0.0 109.027 167.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -28.48 67.27 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.058 -1.026 . . . . 0.0 113.302 -171.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.82 -38.07 85.74 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.558 1.143 . . . . 0.0 112.679 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.46 -45.76 92.55 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.277 -0.889 . . . . 0.0 110.211 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.75 -43.47 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.229 0.611 . . . . 0.0 110.747 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -58.0 -46.78 84.7 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.038 1.335 . . . . 0.0 111.615 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.17 -44.84 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.733 1.213 . . . . 0.0 111.375 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.22 -48.42 75.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.369 0.531 . . . . 0.0 111.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.66 -21.96 64.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -74.21 -42.53 59.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 111.46 169.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -70.88 -37.21 73.03 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -61.33 -40.86 95.81 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.066 -1.022 . . . . 0.0 113.272 -170.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -69.75 -32.78 71.51 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.8 68.71 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.92 -38.83 31.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.579 1.152 . . . . 0.0 113.026 174.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -55.1 -45.03 75.44 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.507 1.523 . . . . 0.0 112.489 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -60.27 -20.86 60.77 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -73.33 -17.37 61.31 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.655 1.182 . . . . 0.0 113.464 174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -130.2 -18.02 3.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.372 1.469 . . . . 0.0 114.608 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 55.62 42.15 29.81 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.717 1.607 . . . . 0.0 113.013 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.94 -25.02 67.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.859 1.263 . . . . 0.0 113.789 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -119.59 153.84 34.85 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.237 2.215 . . . . 0.0 109.576 169.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 57.4 mt -131.65 128.64 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.315 1.046 . . . . 0.0 109.985 -177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.3 t -87.72 133.15 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.166 1.387 . . . . 0.0 110.159 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 11.1 t -96.43 -28.31 14.5 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.99 1.716 . . . . 0.0 112.819 -179.649 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 31.3 m -68.18 152.19 45.85 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.469 1.107 . . . . 0.0 113.11 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -59.26 148.85 30.42 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.34 1.056 . . . . 0.0 113.297 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -81.18 49.12 1.21 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.092 1.757 . . . . 0.0 114.197 -168.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 50.53 47.2 24.53 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.992 2.117 . . . . 0.0 112.492 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -80.21 63.33 4.66 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.957 1.703 . . . . 0.0 111.935 -173.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -126.88 161.63 27.81 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 127.529 2.332 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -65.83 -28.02 68.67 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.449 1.1 . . . . 0.0 112.765 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 64.7 -32.31 0.14 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 128.781 2.832 . . . . 0.0 116.401 175.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -119.87 162.99 18.2 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.545 2.338 . . . . 0.0 110.515 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -94.69 157.53 15.92 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.783 0.833 . . . . 0.0 111.695 175.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -63.19 -6.82 4.75 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -91.5 -44.44 9.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 0.0 111.002 169.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -63.22 -45.82 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.47 -0.769 . . . . 0.0 111.297 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.83 -33.06 66.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.938 1.295 . . . . 0.0 112.932 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.38 -38.25 60.09 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.261 0.624 . . . . 0.0 112.178 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.76 -34.87 76.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.779 0.718 . . . . 0.0 111.76 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.0 -52.24 51.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.279 1.031 . . . . 0.0 111.396 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.07 -20.13 60.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.1 -44.18 26.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.421 0.688 . . . . 0.0 112.16 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -26.2 62.53 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.916 -1.115 . . . . 0.0 112.423 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.51 -26.59 61.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.502 1.521 . . . . 0.0 112.369 168.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.93 -37.7 61.97 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 113.193 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -83.93 -27.65 28.41 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.908 0.883 . . . . 0.0 112.886 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -138.19 101.2 4.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.1 1.36 . . . . 0.0 109.734 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.23 -11.82 59.69 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -150.19 66.57 7.92 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.114 1.366 . . . . 0.0 111.914 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -67.03 157.9 59.44 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.049 2.499 . . . . 0.0 112.665 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -120.55 -179.42 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.066 2.146 . . . . 0.0 110.419 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -51.12 -31.61 20.0 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.488 -1.383 . . . . 0.0 113.591 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 26.7 p -77.0 -49.45 15.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.885 1.274 . . . . 0.0 112.224 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -34.71 50.69 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.121 0.968 . . . . 0.0 113.089 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtm105 -60.46 -43.54 96.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.554 1.07 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.22 -44.45 96.54 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.326 0.512 . . . . 0.0 111.433 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.52 -32.46 67.07 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.46 -32.19 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.87 1.213 . . . . 0.0 111.833 173.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -29.93 67.3 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.382 1.073 . . . . 0.0 112.977 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.79 -31.43 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.856 2.463 . . . . 0.0 114.015 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -116.36 7.32 13.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.97 1.308 . . . . 0.0 113.522 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 65.7 p -115.25 6.67 15.04 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.67 1.188 . . . . 0.0 113.312 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.68 39.73 24.11 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.213 1.405 . . . . 0.0 113.052 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -116.95 -177.23 3.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.28 1.832 . . . . 0.0 111.214 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -130.79 163.63 26.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.538 1.535 . . . . 0.0 109.628 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.53 -25.83 64.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.96 -37.69 69.88 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.669 1.188 . . . . 0.0 112.386 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -59.22 -44.5 92.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.713 0.805 . . . . 0.0 111.004 172.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.87 -44.04 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.306 0.642 . . . . 0.0 110.359 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -60.33 -45.23 94.18 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.287 0.635 . . . . 0.0 112.175 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -42.57 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.892 1.277 . . . . 0.0 111.501 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -66.87 -46.91 73.5 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.113 0.87 . . . . 0.0 112.133 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -64.87 -30.4 71.4 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.673 -0.642 . . . . 0.0 111.384 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -70.22 -39.44 75.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.881 0.872 . . . . 0.0 112.494 171.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -65.82 -32.44 73.96 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.526 -0.734 . . . . 0.0 111.84 170.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -65.7 -39.04 90.82 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.142 -0.974 . . . . 0.0 111.743 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.05 -42.61 94.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.793 0.837 . . . . 0.0 112.099 168.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.47 97.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.462 0.574 . . . . 0.0 111.762 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.22 -33.74 75.99 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.266 1.027 . . . . 0.0 112.327 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.19 -48.65 77.43 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.361 0.665 . . . . 0.0 111.41 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -62.53 -21.66 65.71 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.85 1.26 . . . . 0.0 114.262 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -70.5 -19.48 62.92 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.092 0.957 . . . . 0.0 113.546 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -117.11 -25.46 7.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.292 1.437 . . . . 0.0 114.533 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 53.67 46.24 26.35 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.377 1.871 . . . . 0.0 113.961 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.13 -0.27 31.0 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -174.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -96.9 142.46 28.85 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.108 1.363 . . . . 0.0 112.286 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.2 mm -134.15 134.11 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.351 1.86 . . . . 0.0 109.18 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.27 129.53 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.192 0.997 . . . . 0.0 110.117 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 58.8 p -109.9 -5.82 15.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.703 1.201 . . . . 0.0 114.131 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.097 1.759 . . . . 0.0 113.624 177.357 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.751 -0.54 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 47.0 p -76.48 156.96 32.57 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.871 1.268 . . . . 0.0 113.098 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -80.8 153.54 27.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.6 1.16 . . . . 0.0 112.252 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 63.75 -19.86 0.06 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 128.168 2.587 . . . . 0.0 117.572 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -62.86 129.26 39.66 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.029 1.286 . . . . 0.0 111.503 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 52.1 13.55 0.27 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.765 2.026 . . . . 0.0 115.938 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -69.95 -25.87 63.85 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 120.98 -1.075 . . . . 0.0 113.321 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 97.5 m -62.37 132.76 53.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.552 1.141 . . . . 0.0 110.011 169.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -68.15 -53.8 22.55 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.384 0.674 . . . . 0.0 111.695 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -149.92 159.17 44.59 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.484 1.514 . . . . 0.0 112.242 174.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -102.64 159.65 15.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.855 1.262 . . . . 0.0 111.737 172.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.3 m -62.19 -10.63 11.14 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -91.24 -42.23 10.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.347 1.059 . . . . 0.0 111.923 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -63.53 -42.95 98.4 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.33 -0.856 . . . . 0.0 111.683 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 mt -57.75 -32.69 67.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.95 1.3 . . . . 0.0 112.783 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.2 -38.4 69.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.356 0.662 . . . . 0.0 112.163 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -71.6 -33.27 68.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.649 -0.657 . . . . 0.0 112.008 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.76 -50.72 61.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 111.472 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.46 -25.16 63.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -47.74 31.25 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.912 0.778 . . . . 0.0 111.927 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -69.92 -26.48 64.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.253 -0.904 . . . . 0.0 112.458 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.99 -28.59 66.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.452 1.501 . . . . 0.0 112.783 170.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -72.12 -38.71 69.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.315 -0.866 . . . . 0.0 112.955 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.51 -25.25 25.2 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.482 1.113 . . . . 0.0 113.271 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -136.54 105.1 5.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.949 1.3 . . . . 0.0 110.46 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -86.24 -1.72 57.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -151.2 57.08 2.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.473 1.509 . . . . 0.0 113.416 -170.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -68.87 153.83 72.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.201 1.934 . . . . 0.0 112.483 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -120.49 178.11 4.79 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.441 2.296 . . . . 0.0 110.262 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.17 -29.24 8.87 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.782 -1.199 . . . . 0.0 114.022 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.6 m -83.19 -44.64 14.81 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.627 0.771 . . . . 0.0 112.366 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.79 -35.51 44.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.15 0.98 . . . . 0.0 112.935 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.89 -46.51 81.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.184 0.994 . . . . 0.0 111.329 169.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -62.6 -42.35 99.52 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.924 -0.485 . . . . 0.0 111.32 174.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.95 -30.29 63.92 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.53 -31.98 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.984 1.266 . . . . 0.0 112.144 172.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.64 63.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.423 1.089 . . . . 0.0 112.881 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.56 -33.47 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.741 2.416 . . . . 0.0 113.929 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -114.03 6.67 16.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.8 1.24 . . . . 0.0 113.371 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.7 p -115.73 6.08 14.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.87 1.268 . . . . 0.0 113.185 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 58.85 38.3 24.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.453 1.501 . . . . 0.0 113.78 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.0 -178.28 3.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.875 1.67 . . . . 0.0 111.567 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -132.22 164.88 25.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.618 1.567 . . . . 0.0 109.568 168.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -30.79 67.4 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.988 -1.07 . . . . 0.0 113.263 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.55 87.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.422 1.089 . . . . 0.0 112.275 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -61.72 -45.32 94.47 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.375 -0.828 . . . . 0.0 110.425 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -64.83 -45.57 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.888 0.475 . . . . 0.0 110.76 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -54.82 -49.06 71.94 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.004 1.321 . . . . 0.0 111.301 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.804 1.241 . . . . 0.0 111.607 177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.47 -45.54 86.91 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.551 0.614 . . . . 0.0 112.35 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -68.99 -34.4 75.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.543 1.137 . . . . 0.0 111.976 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttpt -65.84 -43.85 87.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.0 0.92 . . . . 0.0 111.635 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -61.75 -33.96 74.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.724 0.409 . . . . 0.0 111.495 169.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -41.76 89.89 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.335 -0.853 . . . . 0.0 113.183 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -61.0 -41.24 96.15 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.786 0.721 . . . . 0.0 111.725 171.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.52 -45.25 91.49 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.283 0.492 . . . . 0.0 111.72 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -66.81 -34.17 77.23 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.574 1.15 . . . . 0.0 112.519 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -63.81 -48.53 76.48 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.965 0.906 . . . . 0.0 111.455 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -62.99 -23.65 67.54 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -175.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -68.51 -22.78 64.51 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 169.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -115.94 -25.85 7.55 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.395 1.878 . . . . 0.0 113.748 -170.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 55.97 35.16 25.02 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.607 2.363 . . . . 0.0 114.271 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -75.33 -50.08 17.12 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -76.81 145.82 38.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.712 0.805 . . . . 0.0 110.975 171.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -138.28 134.4 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.145 1.778 . . . . 0.0 108.809 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 6.7 t -78.9 137.68 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.974 0.91 . . . . 0.0 110.406 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -87.73 -11.04 49.36 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -171.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.31 1.844 . . . . 0.0 113.204 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.1 t -70.2 138.08 51.46 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.837 0.855 . . . . 0.0 112.893 -176.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 55.75 20.81 4.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.723 2.009 . . . . 0.0 116.013 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -78.75 169.4 18.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.036 1.335 . . . . 0.0 113.022 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.02 158.46 42.65 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.108 1.763 . . . . 0.0 111.046 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -83.56 56.74 3.73 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.244 1.018 . . . . 0.0 112.587 -170.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 61.19 -48.09 0.12 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 128.989 2.916 . . . . 0.0 114.666 -169.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 15.4 t -76.06 172.92 11.97 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.359 1.464 . . . . 0.0 110.435 167.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -70.13 -6.22 32.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.381 1.472 . . . . 0.0 114.334 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -111.53 160.55 17.06 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.931 2.092 . . . . 0.0 112.253 -176.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -91.49 160.12 15.59 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.933 0.893 . . . . 0.0 110.929 174.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -57.64 -19.42 26.34 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -95.76 -39.18 9.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.298 1.039 . . . . 0.0 112.474 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -56.79 -42.82 80.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.439 1.018 . . . . 0.0 110.926 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.32 -33.21 65.39 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.486 1.115 . . . . 0.0 113.235 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -70.31 -41.97 72.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.489 0.716 . . . . 0.0 111.332 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.15 -35.03 75.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.696 0.399 . . . . 0.0 111.186 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.9 mt -66.81 -51.18 58.72 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.719 1.208 . . . . 0.0 111.568 175.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.76 -26.76 65.39 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -47.04 33.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.784 0.72 . . . . 0.0 111.925 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -70.27 -26.18 63.7 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.286 -0.884 . . . . 0.0 112.39 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.29 -25.71 65.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.27 1.428 . . . . 0.0 112.857 171.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -74.66 -38.49 62.44 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.141 -0.974 . . . . 0.0 113.129 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.55 -25.43 25.03 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.372 1.069 . . . . 0.0 113.26 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -135.81 105.02 5.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.072 1.349 . . . . 0.0 109.745 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -84.42 -9.0 58.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -150.04 63.46 6.25 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.925 1.29 . . . . 0.0 112.423 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -67.69 151.8 78.64 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.671 2.248 . . . . 0.0 112.881 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.77 177.74 4.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.386 2.274 . . . . 0.0 110.561 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.22 -29.63 5.94 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -85.17 -43.89 13.42 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 0.0 112.277 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.44 -35.19 40.82 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.935 0.894 . . . . 0.0 113.112 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -56.12 -48.23 76.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.362 0.983 . . . . 0.0 111.058 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.89 -41.53 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.002 -0.436 . . . . 0.0 111.579 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.69 -30.93 63.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.43 -32.63 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.829 1.195 . . . . 0.0 111.861 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.61 -28.08 62.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.655 1.182 . . . . 0.0 113.059 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.55 -34.83 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 127.862 2.465 . . . . 0.0 113.971 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -112.75 5.95 17.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.77 1.228 . . . . 0.0 113.296 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -115.18 5.72 14.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.891 1.276 . . . . 0.0 113.151 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 58.45 41.98 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.657 1.583 . . . . 0.0 113.821 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.4 mt -118.42 -177.47 3.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.411 1.884 . . . . 0.0 111.568 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -132.69 165.31 24.78 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.862 1.665 . . . . 0.0 109.648 168.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.92 -30.11 67.58 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.599 -1.313 . . . . 0.0 113.742 -172.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.09 91.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.011 0.924 . . . . 0.0 111.981 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -60.54 -45.3 94.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.798 0.839 . . . . 0.0 111.23 172.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.51 -46.58 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.072 0.549 . . . . 0.0 110.272 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 ttt-85 -61.38 -42.1 98.18 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.944 0.897 . . . . 0.0 112.416 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.834 1.253 . . . . 0.0 111.447 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -63.89 -46.39 85.09 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.45 -0.781 . . . . 0.0 111.896 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -66.04 -31.14 71.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.993 0.917 . . . . 0.0 112.148 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.52 -47.5 78.62 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.348 1.059 . . . . 0.0 111.318 169.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -67.22 -33.04 74.51 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.802 -0.561 . . . . 0.0 111.846 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -37.83 76.21 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.752 1.221 . . . . 0.0 113.171 172.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -59.58 -40.44 87.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.79 0.836 . . . . 0.0 112.031 169.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.02 92.87 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 172.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -37.25 86.76 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.08 0.855 . . . . 0.0 112.191 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -63.12 -47.3 83.39 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.306 1.042 . . . . 0.0 111.67 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -61.99 -24.46 67.04 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -69.28 -22.78 63.79 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 170.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -116.55 -25.25 7.49 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.454 1.902 . . . . 0.0 113.782 -169.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 55.42 37.82 29.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.162 2.185 . . . . 0.0 113.733 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.84 -40.34 83.73 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.899 0.88 . . . . 0.0 113.219 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -97.57 144.92 26.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.549 1.54 . . . . 0.0 110.28 169.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 55.2 mt -139.8 132.37 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 108.757 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 50.7 t -76.97 131.75 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.081 0.952 . . . . 0.0 110.453 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 48.5 p -102.63 -10.74 18.99 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.915 1.686 . . . . 0.0 113.83 177.875 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . 0.273 79.2 p 44.1 -101.35 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.227 2.211 . . . . 0.0 115.32 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -137.65 156.51 47.96 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.937 1.695 . . . . 0.0 112.337 -174.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -80.2 -21.74 42.61 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 49.12 27.11 1.64 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 126.553 1.941 . . . . 0.0 114.109 -172.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 54.38 24.74 5.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.321 2.249 . . . . 0.0 115.457 -171.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -88.01 -38.14 15.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.212 1.005 . . . . 0.0 113.304 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 57.2 m -143.74 133.96 24.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.464 1.506 . . . . 0.0 110.066 -176.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -115.43 0.97 13.57 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.832 1.253 . . . . 0.0 114.368 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -102.4 170.62 7.95 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.468 1.907 . . . . 0.0 110.283 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -96.54 157.87 15.7 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.305 -0.872 . . . . 0.0 110.579 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -63.31 -6.86 5.12 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -99.45 -41.02 7.58 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.495 1.518 . . . . 0.0 112.426 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -58.73 -44.55 90.48 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.335 0.97 . . . . 0.0 111.172 178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 mt -54.65 -33.32 60.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.876 1.27 . . . . 0.0 113.438 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -70.13 -41.28 74.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.482 0.713 . . . . 0.0 111.376 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -71.37 -32.24 68.26 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.994 0.518 . . . . 0.0 111.599 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.99 -51.02 60.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.184 0.994 . . . . 0.0 111.539 174.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.92 -24.9 63.44 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -45.56 31.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.748 0.703 . . . . 0.0 112.025 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -24.75 62.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.05 -1.031 . . . . 0.0 112.232 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -59.73 -23.38 63.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.598 1.559 . . . . 0.0 112.681 169.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -77.12 -38.72 51.52 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.113 -0.992 . . . . 0.0 113.125 176.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.42 -25.57 33.56 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.621 1.168 . . . . 0.0 112.873 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -140.53 109.38 6.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.81 1.244 . . . . 0.0 110.553 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -92.08 -0.13 57.46 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.987 0.915 . . . . 0.0 112.788 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -151.56 51.25 0.77 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.704 1.602 . . . . 0.0 113.279 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -67.8 148.89 77.95 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.995 1.797 . . . . 0.0 112.834 -174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -115.06 179.48 3.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.512 2.325 . . . . 0.0 110.452 -172.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ptm -52.53 -26.21 12.5 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.548 -1.345 . . . . 0.0 114.225 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.1 t -85.8 -46.09 10.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.984 0.914 . . . . 0.0 111.988 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -32.88 46.46 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.161 -0.962 . . . . 0.0 113.595 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -60.03 -44.81 94.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.669 -1.27 . . . . 0.0 111.578 168.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.79 -42.2 98.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.01 -0.432 . . . . 0.0 111.811 171.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.1 -39.0 63.08 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.805 0.842 . . . . 0.0 112.894 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.04 -32.84 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.963 0.801 . . . . 0.0 111.439 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.87 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.376 1.07 . . . . 0.0 112.809 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.57 -30.2 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.258 2.223 . . . . 0.0 114.055 -171.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -117.06 6.85 12.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.976 1.31 . . . . 0.0 113.463 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.09 5.99 15.04 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.649 1.179 . . . . 0.0 113.322 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.04 41.35 24.3 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.294 1.438 . . . . 0.0 113.07 -176.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -116.61 179.34 4.03 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.987 1.715 . . . . 0.0 111.351 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.34 161.94 25.89 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.064 1.346 . . . . 0.0 109.441 167.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -28.33 67.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.705 -1.247 . . . . 0.0 113.334 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.53 86.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.426 1.09 . . . . 0.0 112.561 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -59.92 -44.67 94.18 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.271 0.941 . . . . 0.0 110.978 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.44 -44.35 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.196 0.598 . . . . 0.0 110.465 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -57.28 -48.02 79.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.476 1.111 . . . . 0.0 111.64 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.51 -44.98 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.865 1.266 . . . . 0.0 111.53 177.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -64.47 -47.34 79.34 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.388 0.54 . . . . 0.0 111.618 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -65.37 -33.0 74.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.418 0.687 . . . . 0.0 112.116 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -66.19 -45.14 81.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.22 0.608 . . . . 0.0 111.317 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -64.73 -37.2 86.78 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.78 0.432 . . . . 0.0 111.832 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -69.39 -36.59 76.92 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.148 -0.97 . . . . 0.0 113.404 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -65.98 -41.78 90.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.055 1.342 . . . . 0.0 111.857 170.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.68 98.42 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 122.423 0.289 . . . . 0.0 111.47 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.32 -37.11 77.58 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.185 0.994 . . . . 0.0 112.574 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -56.78 -44.86 82.29 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.534 0.734 . . . . 0.0 111.247 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.63 -26.14 68.54 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -76.6 -35.38 58.16 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.462 1.028 . . . . 0.0 112.13 169.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -85.16 -29.23 24.93 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.85 1.66 . . . . 0.0 113.997 -174.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 49.52 51.52 16.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.744 2.018 . . . . 0.0 112.387 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.33 -19.47 61.85 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.889 1.676 . . . . 0.0 115.047 -171.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -129.08 137.89 51.52 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.749 1.62 . . . . 0.0 111.712 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -138.75 136.64 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 127.032 2.133 . . . . 0.0 108.166 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.44 126.33 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.686 0.794 . . . . 0.0 110.314 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 40.6 p -101.54 -14.4 17.49 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 C--O 1.255 1.362 0 C-N-CA 127.817 2.447 . . . . 0.0 114.872 178.713 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 33.6 t -76.05 151.36 37.14 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.988 0.915 . . . . 0.0 112.883 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -79.27 -10.9 59.92 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.756 1.222 . . . . 0.0 112.52 171.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 36.2 mtp-105 -83.88 55.13 3.14 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.874 1.67 . . . . 0.0 111.828 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 3' ' ' ARG . . . . . 0.462 ' HG3' ' H ' ' P' ' 5' ' ' ARG . 38.2 ptt85 -132.28 -171.43 2.64 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.604 1.962 . . . . 0.0 112.167 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -70.4 -17.23 63.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.156 1.382 . . . . 0.0 113.434 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 5' ' ' ARG . . . . . 0.462 ' H ' ' HG3' ' P' ' 3' ' ' ARG . 98.3 mtt180 62.73 17.23 9.64 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.121 2.568 . . . . 0.0 115.194 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.98 144.99 55.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.193 1.397 . . . . 0.0 110.807 171.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -112.49 3.22 16.7 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.903 1.281 . . . . 0.0 113.874 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -147.77 170.22 18.05 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.3 2.64 . . . . 0.0 110.259 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.3 p -98.41 159.14 15.14 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.962 0.905 . . . . 0.0 111.142 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.8 m -61.29 -11.15 8.59 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -96.34 -40.67 9.01 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.33 1.452 . . . . 0.0 112.509 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.27 -43.43 96.19 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.319 -0.863 . . . . 0.0 111.491 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.8 -32.87 60.8 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.282 176.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -68.52 -40.4 80.8 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.467 0.707 . . . . 0.0 111.536 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -74.68 -29.75 61.33 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.334 0.654 . . . . 0.0 112.047 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.76 -49.49 58.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.722 1.209 . . . . 0.0 111.133 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.55 -25.0 63.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.1 -46.98 39.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.904 0.775 . . . . 0.0 112.284 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.433 HG21 HG21 ' P' ' 34' ' ' ILE . 1.8 t -70.59 -26.2 63.41 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.948 -1.095 . . . . 0.0 112.569 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -58.18 -26.29 62.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.399 1.48 . . . . 0.0 112.392 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -73.26 -40.61 64.48 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.377 -0.827 . . . . 0.0 112.97 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -82.22 -27.81 32.31 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.634 0.774 . . . . 0.0 112.784 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -139.98 102.14 4.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.002 1.321 . . . . 0.0 110.128 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -79.52 -14.11 59.09 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -152.25 70.09 7.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 125.411 1.484 . . . . 0.0 111.827 -175.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.61 170.04 14.63 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.131 2.554 . . . . 0.0 113.202 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.6 171.32 11.75 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.274 2.23 . . . . 0.0 109.398 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 24.7 ptm -49.05 -37.04 19.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.395 1.452 . . . . 0.0 113.892 -172.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.3 m -70.81 -38.08 73.29 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.678 0.791 . . . . 0.0 112.614 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.66 -33.45 27.74 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.492 1.117 . . . . 0.0 112.766 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -62.24 -43.67 98.29 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.793 1.237 . . . . 0.0 111.74 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.41 -41.5 98.74 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.784 -0.572 . . . . 0.0 111.699 171.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -54.07 -36.72 63.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.472 0.709 . . . . 0.0 112.875 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.433 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -85.75 -31.44 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.257 0.935 . . . . 0.0 111.915 177.082 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -28.48 63.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.542 1.137 . . . . 0.0 112.915 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.16 -31.0 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 127.329 2.252 . . . . 0.0 114.147 -172.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p-90 -116.28 7.12 13.92 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.031 1.332 . . . . 0.0 113.513 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -115.45 6.45 14.75 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.725 1.21 . . . . 0.0 113.381 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 t30 58.09 40.72 24.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.438 1.495 . . . . 0.0 113.601 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.76 -178.71 3.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.995 1.718 . . . . 0.0 111.407 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -130.84 163.94 26.29 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.742 1.617 . . . . 0.0 109.212 168.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -30.88 66.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.961 -1.087 . . . . 0.0 113.162 -171.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.7 82.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.769 1.228 . . . . 0.0 112.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -62.07 -44.46 96.64 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.178 -0.951 . . . . 0.0 110.492 171.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -64.9 -41.82 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.368 0.667 . . . . 0.0 110.619 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -59.18 -46.23 88.96 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.332 . . . . 0.0 112.186 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.96 -44.85 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.238 1.015 . . . . 0.0 111.691 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -63.21 -49.43 74.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.63 0.65 . . . . 0.0 111.939 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.71 -32.16 72.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.901 -0.499 . . . . 0.0 111.87 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -66.7 -35.91 81.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.962 0.905 . . . . 0.0 111.974 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -72.3 -42.33 65.62 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.23 0.468 . . . . 0.0 111.702 168.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -63.44 -38.84 92.69 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.111 -0.993 . . . . 0.0 113.278 -175.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -34.51 75.98 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.557 0.743 . . . . 0.0 112.591 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.11 -32.25 71.52 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.226 0.61 . . . . 0.0 112.348 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.94 -39.2 35.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.734 1.214 . . . . 0.0 112.898 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.75 -43.17 76.41 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.395 1.478 . . . . 0.0 112.45 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.37 -22.26 64.79 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -79.85 -24.1 41.5 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.424 1.09 . . . . 0.0 112.777 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -100.23 -29.34 12.52 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.334 1.854 . . . . 0.0 113.473 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 53.06 49.54 19.86 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.103 1.761 . . . . 0.0 112.642 -176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -63.28 -20.37 65.41 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.38 1.472 . . . . 0.0 114.717 -173.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -91.02 119.33 31.11 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.796 1.239 . . . . 0.0 111.094 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 54.7 mt -136.19 138.04 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.61 1.564 . . . . 0.0 109.489 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 t -134.24 134.52 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.532 1.533 . . . . 0.0 109.679 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 9.3 m -87.87 -28.51 21.54 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.537 1.535 . . . . 0.0 113.952 179.555 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 8.0 t -78.02 161.1 27.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.047 0.939 . . . . 0.0 112.775 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -69.5 136.46 51.47 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.765 1.226 . . . . 0.0 111.84 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -85.34 156.63 20.82 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.812 1.245 . . . . 0.0 112.756 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 50.45 -134.29 1.55 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.381 1.472 . . . . 0.0 110.722 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -126.93 34.09 4.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.264 1.825 . . . . 0.0 110.712 169.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 59.78 -66.63 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 128.42 2.688 . . . . 0.0 114.624 -169.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 49.8 m -63.6 131.43 47.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.396 1.478 . . . . 0.0 111.915 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -87.09 -56.08 3.54 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.766 1.226 . . . . 0.0 111.023 171.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -145.92 163.85 33.83 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.8 2.04 . . . . 0.0 111.0 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -98.29 160.36 14.34 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.37 1.068 . . . . 0.0 110.901 170.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -57.08 -20.16 23.57 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -94.76 -38.94 10.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 112.649 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -57.55 -41.11 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.43 1.013 . . . . 0.0 111.11 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.34 -32.59 66.88 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.817 1.247 . . . . 0.0 113.283 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -69.88 -40.53 75.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.511 0.724 . . . . 0.0 111.203 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.78 -35.08 74.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.855 0.462 . . . . 0.0 111.335 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.42 -50.25 64.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.73 1.212 . . . . 0.0 111.382 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.37 -22.78 62.73 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.61 -45.56 29.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.587 0.755 . . . . 0.0 112.272 172.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -25.54 62.4 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.996 -1.065 . . . . 0.0 112.208 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.67 -28.0 63.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.687 1.595 . . . . 0.0 112.422 169.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.39 -36.65 71.48 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.315 -0.866 . . . . 0.0 113.019 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -84.01 -28.02 27.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 112.825 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -141.51 106.75 4.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.186 . . . . 0.0 111.043 -172.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -85.39 -7.05 59.15 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -152.72 64.44 5.36 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 124.876 1.27 . . . . 0.0 112.216 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -67.49 151.95 79.25 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.78 2.32 . . . . 0.0 112.795 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -114.01 178.07 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.121 2.168 . . . . 0.0 110.609 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.9 ptm -51.39 -27.92 11.3 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.75 -1.219 . . . . 0.0 114.026 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -85.07 -43.85 13.54 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.767 0.827 . . . . 0.0 112.208 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.7 -33.62 40.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.954 0.902 . . . . 0.0 113.205 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.3 mtm-85 -60.02 -45.41 92.9 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.094 -1.004 . . . . 0.0 111.972 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.48 -42.99 99.62 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.032 -0.417 . . . . 0.0 111.643 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.04 -34.34 63.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -32.81 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.173 0.897 . . . . 0.0 111.807 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.56 68.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.442 1.097 . . . . 0.0 112.72 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -60.94 -31.28 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 127.325 2.25 . . . . 0.0 114.198 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -115.88 6.12 14.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.901 1.281 . . . . 0.0 113.522 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -113.85 5.74 16.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.705 1.202 . . . . 0.0 113.497 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.2 t30 57.92 40.31 25.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.334 1.454 . . . . 0.0 113.521 -175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -115.66 179.25 4.03 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.855 1.662 . . . . 0.0 111.271 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -126.57 161.54 27.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.085 1.354 . . . . 0.0 108.951 167.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -28.2 66.95 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.045 -1.034 . . . . 0.0 113.319 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.2 85.27 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.625 1.17 . . . . 0.0 112.688 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -60.72 -45.4 94.38 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.187 -0.946 . . . . 0.0 110.312 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -65.26 -43.37 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.362 0.665 . . . . 0.0 110.676 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -57.6 -46.08 84.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.89 1.276 . . . . 0.0 111.435 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.07 -46.01 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.42 1.088 . . . . 0.0 111.446 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -63.67 -48.49 76.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.541 0.61 . . . . 0.0 111.773 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -69.68 -22.9 63.39 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -73.47 -41.99 62.46 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.259 0.936 . . . . 0.0 111.321 169.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -68.71 -36.11 78.02 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -64.37 -35.78 82.01 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -169.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -74.8 -33.03 62.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.823 0.849 . . . . 0.0 112.749 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.72 95.24 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.81 -0.556 . . . . 0.0 110.995 169.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.29 -34.4 74.66 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.048 0.939 . . . . 0.0 112.137 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -58.74 -46.24 87.85 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.891 0.769 . . . . 0.0 110.669 169.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -64.27 -27.57 69.13 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -69.65 -40.91 76.21 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.974 0.91 . . . . 0.0 112.372 169.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -88.86 -29.88 19.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.377 1.471 . . . . 0.0 114.204 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 53.6 48.47 21.57 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.544 2.338 . . . . 0.0 113.049 -169.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.59 -31.82 70.96 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.524 1.53 . . . . 0.0 112.955 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -132.03 142.68 49.65 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.109 2.164 . . . . 0.0 110.373 174.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mt -139.05 133.33 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.299 1.839 . . . . 0.0 108.255 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.09 129.65 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.648 0.779 . . . . 0.0 110.372 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -110.89 -7.93 14.54 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.706 1.202 . . . . 0.0 114.049 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.683 1.593 . . . . 0.0 113.849 178.562 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.451 -0.659 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 17.4 m -71.36 -20.49 62.15 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.65 150.58 46.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.172 0.989 . . . . 0.0 112.291 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -110.06 -13.4 14.4 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.434 1.494 . . . . 0.0 113.452 170.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -141.79 158.67 43.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.84 2.056 . . . . 0.0 112.113 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -130.02 120.34 24.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.586 1.954 . . . . 0.0 109.15 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -69.49 137.79 52.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.669 1.188 . . . . 0.0 111.707 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 60.2 m -94.2 122.83 37.14 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.642 1.177 . . . . 0.0 110.541 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -92.89 -19.26 21.85 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -72.21 157.36 37.87 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.556 1.142 . . . . 0.0 112.457 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -97.28 158.16 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.197 0.999 . . . . 0.0 111.392 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.5 m -61.83 -8.4 4.84 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.45 -41.26 7.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.331 1.452 . . . . 0.0 112.422 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.21 0.913 . . . . 0.0 111.6 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.35 -32.08 64.36 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.01 1.324 . . . . 0.0 112.993 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -69.58 -41.11 76.23 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.614 0.766 . . . . 0.0 111.436 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.34 -32.6 66.64 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.241 0.616 . . . . 0.0 111.684 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.24 -52.06 51.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.32 1.048 . . . . 0.0 111.249 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.87 -22.82 62.25 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 -44.18 30.74 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.123 0.874 . . . . 0.0 112.134 172.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.412 HG21 HG21 ' P' ' 34' ' ' ILE . 0.7 OUTLIER -73.69 -24.85 60.01 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.127 -0.983 . . . . 0.0 112.513 178.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -54.45 -32.73 58.19 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.379 1.472 . . . . 0.0 111.565 168.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.38 -37.84 80.79 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -85.62 -27.3 25.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.212 1.005 . . . . 0.0 113.196 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -143.34 100.75 3.68 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.287 1.435 . . . . 0.0 110.023 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.02 -13.38 59.82 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.428 0.691 . . . . 0.0 112.72 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -148.69 66.58 9.04 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.09 1.356 . . . . 0.0 111.957 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -65.59 156.38 64.01 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.223 2.616 . . . . 0.0 112.577 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -115.22 175.63 5.42 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.15 2.18 . . . . 0.0 110.457 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.37 -29.96 7.01 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -82.96 -43.45 16.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.578 0.751 . . . . 0.0 112.572 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -34.54 52.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.958 0.903 . . . . 0.0 112.718 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.98 -47.01 81.78 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.827 1.251 . . . . 0.0 111.069 169.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.02 -41.12 97.54 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 122.115 -0.366 . . . . 0.0 111.222 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -30.48 63.6 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.412 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -88.81 -32.59 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.965 1.257 . . . . 0.0 112.01 172.558 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.4 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.513 1.125 . . . . 0.0 112.927 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.54 -32.94 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.656 2.382 . . . . 0.0 113.988 -173.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.16 6.75 15.17 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.819 1.248 . . . . 0.0 113.377 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 74.6 p -116.3 5.27 13.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.926 1.291 . . . . 0.0 113.157 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.51 42.07 21.55 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.503 1.521 . . . . 0.0 113.324 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -116.01 -176.37 2.93 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.07 1.748 . . . . 0.0 111.369 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -133.33 166.18 23.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.551 1.54 . . . . 0.0 110.04 169.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -35.4 64.15 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.138 -0.977 . . . . 0.0 112.759 -173.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.82 81.77 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.735 1.214 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -63.05 -43.6 98.19 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.329 -0.857 . . . . 0.0 111.107 173.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.9 t -67.2 -43.98 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.476 -0.297 . . . . 0.0 110.66 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -54.82 -49.7 70.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.492 1.117 . . . . 0.0 111.561 173.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -43.76 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.97 1.308 . . . . 0.0 111.518 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -65.3 -47.44 76.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.93 0.786 . . . . 0.0 111.913 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -66.85 -25.27 66.34 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -74.3 -44.07 54.17 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.077 0.951 . . . . 0.0 111.934 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -68.21 -24.79 64.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.399 0.68 . . . . 0.0 112.804 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -64.62 -29.84 70.85 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.079 -1.013 . . . . 0.0 112.892 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -62.43 -42.7 99.65 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.752 0.821 . . . . 0.0 112.207 170.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.42 -28.69 70.15 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -82.73 -35.63 26.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.582 1.153 . . . . 0.0 113.164 173.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -60.67 -45.71 93.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.277 1.431 . . . . 0.0 112.339 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -60.99 -23.49 65.42 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -172.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -79.94 -22.32 42.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.678 1.191 . . . . 0.0 112.842 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -109.17 -24.69 11.01 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.704 2.002 . . . . 0.0 113.205 -170.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 54.21 41.73 31.86 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.757 2.023 . . . . 0.0 112.891 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -61.68 -30.34 70.67 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.479 1.512 . . . . 0.0 113.555 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -137.15 153.14 50.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.038 2.135 . . . . 0.0 110.421 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.5 mm -134.59 132.52 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.984 1.714 . . . . 0.0 108.537 176.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.31 129.17 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.964 0.906 . . . . 0.0 110.635 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 53.3 p -107.06 -9.56 16.16 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.977 1.311 . . . . 0.0 114.198 -177.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.015 1.726 . . . . 0.0 113.882 178.579 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.559 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 32.8 m -67.03 150.27 49.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.524 1.13 . . . . 0.0 113.125 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -135.07 158.5 44.2 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.586 1.555 . . . . 0.0 111.707 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -142.56 163.38 32.97 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.811 1.644 . . . . 0.0 112.434 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -70.46 155.89 40.1 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.719 1.208 . . . . 0.0 111.713 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -80.26 66.57 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.842 1.257 . . . . 0.0 111.376 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 53.81 -90.64 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.611 2.364 . . . . 0.0 113.66 -176.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 23.2 m -139.86 131.54 27.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.79 1.636 . . . . 0.0 109.831 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -82.18 -13.83 56.54 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -116.05 157.89 23.99 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.999 1.72 . . . . 0.0 111.302 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -94.26 157.79 15.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 0.0 111.46 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -61.67 -8.28 4.39 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -98.25 -42.35 7.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.292 1.437 . . . . 0.0 112.404 172.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.11 -43.67 91.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.189 0.904 . . . . 0.0 111.393 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.76 -31.52 62.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.245 1.418 . . . . 0.0 113.3 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -71.02 -42.47 69.53 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.291 0.637 . . . . 0.0 111.33 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -70.4 -34.3 72.37 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.147 0.579 . . . . 0.0 111.645 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.45 -51.09 62.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.537 1.135 . . . . 0.0 111.7 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -74.04 -19.98 60.45 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.23 -47.81 26.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.757 0.823 . . . . 0.0 112.167 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.442 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -69.66 -25.45 63.91 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.915 -1.116 . . . . 0.0 112.48 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.32 -25.39 61.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.635 1.574 . . . . 0.0 112.577 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -75.52 -38.63 59.26 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.384 -0.823 . . . . 0.0 113.05 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -82.99 -27.41 30.44 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.682 0.793 . . . . 0.0 112.834 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -139.76 104.52 4.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.744 1.218 . . . . 0.0 110.236 -174.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -85.47 -7.43 58.92 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -152.21 65.13 5.96 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.362 1.465 . . . . 0.0 111.71 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -67.85 155.35 70.16 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.641 2.228 . . . . 0.0 112.915 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -116.65 179.3 4.05 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.667 1.987 . . . . 0.0 110.693 -171.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.9 ptm -50.5 -31.46 15.46 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.56 -1.338 . . . . 0.0 113.744 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.6 m -82.84 -43.83 16.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.673 0.789 . . . . 0.0 111.822 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.84 34.09 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -59.47 -44.57 93.0 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.539 1.063 . . . . 0.0 111.843 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.52 -42.21 98.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.265 0.484 . . . . 0.0 111.723 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.15 -37.34 64.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.846 0.748 . . . . 0.0 112.851 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.442 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -85.0 -32.66 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.238 0.926 . . . . 0.0 111.824 177.118 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.92 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.395 1.078 . . . . 0.0 112.798 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.13 -30.89 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 127.266 2.226 . . . . 0.0 114.104 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -116.71 7.29 13.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.983 1.313 . . . . 0.0 113.52 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -115.0 6.51 15.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.683 1.193 . . . . 0.0 113.267 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.83 39.47 23.96 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.479 1.512 . . . . 0.0 113.167 -177.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.7 -178.79 3.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.071 1.749 . . . . 0.0 111.273 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -129.88 164.78 23.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.328 1.451 . . . . 0.0 109.91 168.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 -29.17 65.56 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.894 -1.128 . . . . 0.0 113.802 -173.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.11 78.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.435 1.094 . . . . 0.0 112.098 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -58.32 -43.99 88.43 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 0.0 111.119 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.01 -46.24 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 122.894 0.478 . . . . 0.0 110.644 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -60.32 -44.6 95.32 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.832 0.742 . . . . 0.0 112.301 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.74 -44.07 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.126 0.97 . . . . 0.0 111.585 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -64.82 -48.28 74.97 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.86 -0.525 . . . . 0.0 111.767 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -62.61 -33.53 75.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.759 0.823 . . . . 0.0 112.323 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.51 -48.26 73.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.645 0.778 . . . . 0.0 111.174 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -63.82 -38.36 90.82 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.823 0.449 . . . . 0.0 111.606 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -68.66 -38.47 80.44 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.428 -0.795 . . . . 0.0 112.777 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -62.29 -42.29 99.23 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.727 0.811 . . . . 0.0 111.967 171.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.93 73.03 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -80.55 -36.48 32.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.793 1.237 . . . . 0.0 113.085 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -53.7 -44.39 69.75 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.081 1.752 . . . . 0.0 111.231 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -61.18 -20.67 63.01 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -89.77 -10.32 46.0 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.804 1.641 . . . . 0.0 113.865 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -128.35 -14.86 4.72 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.588 1.555 . . . . 0.0 114.326 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 52.7 47.52 24.5 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.023 2.129 . . . . 0.0 112.577 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.16 -32.4 62.1 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.24 1.416 . . . . 0.0 113.427 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -133.49 149.53 51.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.394 2.278 . . . . 0.0 110.125 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 45.6 mm -120.78 127.88 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.389 1.476 . . . . 0.0 109.497 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 6.5 t -83.67 138.83 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.182 0.993 . . . . 0.0 110.0 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 46.5 p -101.96 9.86 40.17 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 -169.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.088 1.755 . . . . 0.0 114.799 -179.251 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 49.7 m -136.71 150.09 48.25 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.069 1.348 . . . . 0.0 112.321 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -66.27 -33.73 76.41 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.132 0.973 . . . . 0.0 113.396 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 58.36 7.31 0.67 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 127.232 2.213 . . . . 0.0 115.875 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -69.42 141.09 54.15 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.971 1.308 . . . . 0.0 110.626 174.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -88.07 -12.9 42.86 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -172.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 53.02 22.32 2.42 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 127.119 2.168 . . . . 0.0 115.791 172.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 97.9 m -94.84 131.09 41.1 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.799 1.239 . . . . 0.0 110.992 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.96 -26.93 22.41 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.202 1.001 . . . . 0.0 113.373 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -80.93 160.81 24.57 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.792 1.237 . . . . 0.0 112.604 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -98.3 158.27 15.67 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.219 1.008 . . . . 0.0 111.365 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -61.78 -9.44 6.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -97.46 -41.33 8.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.284 1.434 . . . . 0.0 112.472 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -59.95 -43.2 95.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.155 0.889 . . . . 0.0 111.571 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.8 mt -55.99 -31.36 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.093 1.357 . . . . 0.0 113.133 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -70.84 -42.44 70.17 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.389 0.675 . . . . 0.0 111.433 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.66 -34.46 72.05 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.094 0.558 . . . . 0.0 111.641 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.91 -51.87 59.57 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.488 1.115 . . . . 0.0 111.536 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.47 -23.43 61.04 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -46.24 32.61 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.83 0.741 . . . . 0.0 112.117 173.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.403 HG21 HG21 ' P' ' 34' ' ' ILE . 1.2 t -69.93 -27.98 65.21 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.238 -0.914 . . . . 0.0 112.176 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.11 -27.08 63.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.48 1.512 . . . . 0.0 112.976 170.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.15 -39.37 65.73 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.173 -0.955 . . . . 0.0 113.038 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -86.82 -23.96 25.15 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.416 1.086 . . . . 0.0 113.541 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -137.33 103.69 5.16 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.972 1.309 . . . . 0.0 110.135 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -80.2 -13.05 59.55 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.04 64.57 7.57 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 125.069 1.348 . . . . 0.0 113.033 -174.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.03 169.17 15.54 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.69 2.26 . . . . 0.0 112.155 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -140.31 -173.3 3.63 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.56 1.544 . . . . 0.0 110.724 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -48.87 -29.58 4.83 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -81.71 -34.76 30.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.76 0.709 . . . . 0.0 112.88 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.36 -34.79 14.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.689 1.196 . . . . 0.0 113.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -62.15 -43.01 99.78 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.807 1.643 . . . . 0.0 111.89 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -63.4 -42.94 98.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.446 0.566 . . . . 0.0 111.004 171.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.1 -31.89 65.74 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.403 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -86.04 -32.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 120.118 1.327 . . . . 0.0 112.261 172.425 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.75 -28.81 64.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.27 -33.31 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.868 2.467 . . . . 0.0 114.01 -173.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -114.94 7.14 15.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.804 1.241 . . . . 0.0 113.329 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -115.56 6.21 14.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.828 1.251 . . . . 0.0 113.233 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 58.25 40.95 24.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.589 1.556 . . . . 0.0 113.798 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.95 -177.92 3.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.12 1.768 . . . . 0.0 111.564 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -130.55 163.42 27.12 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.535 1.534 . . . . 0.0 109.375 167.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -32.38 68.3 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.966 -1.084 . . . . 0.0 113.192 -170.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.05 89.27 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.561 1.144 . . . . 0.0 112.344 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -61.0 -44.78 96.93 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.411 -0.806 . . . . 0.0 110.924 172.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.99 -42.31 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.133 0.573 . . . . 0.0 110.548 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -62.41 -44.85 95.45 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.637 1.175 . . . . 0.0 112.225 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.3 t -62.83 -44.26 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.784 1.234 . . . . 0.0 111.56 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -64.51 -48.64 74.38 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.463 0.574 . . . . 0.0 111.852 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.09 -33.52 76.23 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.955 0.502 . . . . 0.0 111.662 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -67.06 -38.7 86.26 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 111.858 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -69.07 -44.48 72.47 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.536 0.335 . . . . 0.0 111.9 169.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -62.01 -41.78 98.45 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.202 -0.936 . . . . 0.0 112.655 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -69.38 -31.52 69.97 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.67 0.668 . . . . 0.0 112.647 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.9 -30.82 65.78 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -79.3 -38.62 34.88 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.835 1.254 . . . . 0.0 112.987 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -55.33 -45.16 76.39 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.494 1.517 . . . . 0.0 112.184 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -61.21 -22.77 65.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -174.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -74.25 -25.2 59.49 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.336 1.055 . . . . 0.0 112.983 174.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -113.76 -21.85 10.49 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.537 1.535 . . . . 0.0 113.928 -174.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 55.35 40.35 31.43 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.064 1.746 . . . . 0.0 113.014 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -64.25 -25.81 68.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.655 1.182 . . . . 0.0 113.766 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -124.25 144.4 49.99 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.597 1.959 . . . . 0.0 110.278 171.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mp -131.71 132.27 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.493 1.517 . . . . 0.0 110.03 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.18 127.74 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.254 1.022 . . . . 0.0 109.765 173.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 70.0 p -117.84 -2.77 11.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.754 1.222 . . . . 0.0 114.185 -174.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.99 1.716 . . . . 0.0 113.919 178.149 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 28.5 p -87.94 3.86 47.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 51.63 57.25 6.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.142 1.777 . . . . 0.0 113.504 170.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 81.6 mtm-85 -82.71 8.11 13.03 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.584 1.554 . . . . 0.0 115.063 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -56.64 131.09 47.96 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.569 1.547 . . . . 0.0 111.808 -177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -95.49 -7.88 36.88 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -129.72 152.86 48.77 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.773 1.629 . . . . 0.0 112.489 -175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -88.36 157.81 18.6 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.316 1.446 . . . . 0.0 112.4 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.63 -0.88 57.81 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.448 1.499 . . . . 0.0 113.37 174.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -106.56 163.17 13.1 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.044 1.737 . . . . 0.0 111.63 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -93.27 157.54 16.2 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.392 0.677 . . . . 0.0 111.111 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -62.56 -7.62 4.99 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -98.81 -41.7 7.52 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.256 1.422 . . . . 0.0 112.4 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -58.88 -44.1 91.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.304 0.956 . . . . 0.0 111.27 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -31.87 62.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.122 1.369 . . . . 0.0 113.337 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -71.72 -41.96 67.91 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.387 0.675 . . . . 0.0 111.436 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -70.36 -34.3 72.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.048 0.539 . . . . 0.0 111.555 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.5 mt -65.12 -51.89 58.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.45 1.1 . . . . 0.0 111.562 173.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.38 -20.69 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.39 -47.81 25.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.661 0.784 . . . . 0.0 112.024 170.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.039 -1.038 . . . . 0.0 112.327 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -58.02 -28.42 64.45 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.887 1.675 . . . . 0.0 112.905 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -72.31 -38.89 68.59 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.391 -0.818 . . . . 0.0 112.95 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -86.77 -25.59 24.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.463 1.105 . . . . 0.0 113.312 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -138.43 101.63 4.42 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.145 1.378 . . . . 0.0 109.845 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.3 -12.56 59.94 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 -176.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -150.32 65.67 7.36 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.089 1.356 . . . . 0.0 112.033 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.68 152.07 82.75 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.055 2.503 . . . . 0.0 112.497 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -109.06 175.83 5.31 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.82 2.048 . . . . 0.0 110.046 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.7 ptm -49.63 -35.45 21.18 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.976 1.262 . . . . 0.0 113.006 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.3 m -75.88 -42.09 50.21 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.677 -0.64 . . . . 0.0 112.483 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.27 -34.29 37.12 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.827 0.851 . . . . 0.0 112.903 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -60.67 -44.74 96.12 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.558 1.143 . . . . 0.0 111.756 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.12 -43.57 98.68 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.245 0.475 . . . . 0.0 111.332 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.96 -30.58 66.11 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -32.23 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.895 1.225 . . . . 0.0 112.062 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.38 -29.57 66.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.491 1.116 . . . . 0.0 112.915 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.65 -32.27 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.831 2.452 . . . . 0.0 113.956 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -115.68 7.13 14.64 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.986 1.314 . . . . 0.0 113.435 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -115.45 6.42 14.75 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.667 1.187 . . . . 0.0 113.231 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.61 40.61 23.35 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.321 1.449 . . . . 0.0 113.018 -176.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -117.47 -179.09 3.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.163 1.785 . . . . 0.0 111.33 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -128.69 161.88 28.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.522 1.529 . . . . 0.0 109.257 167.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -27.64 67.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.547 -1.346 . . . . 0.0 113.57 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.18 91.07 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.259 1.024 . . . . 0.0 112.504 174.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -59.4 -45.62 91.0 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.407 -0.808 . . . . 0.0 110.893 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.9 -44.06 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.255 0.622 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -58.28 -47.28 84.15 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.637 1.175 . . . . 0.0 111.578 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.6 -46.57 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.002 1.321 . . . . 0.0 111.355 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -62.9 -47.58 82.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.931 0.492 . . . . 0.0 111.884 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.7 -32.41 73.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.276 0.63 . . . . 0.0 112.275 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -65.68 -44.97 84.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.512 0.725 . . . . 0.0 111.364 173.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.24 -39.23 86.14 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.636 0.374 . . . . 0.0 111.817 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -65.03 -43.22 93.15 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.435 -0.79 . . . . 0.0 112.571 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -68.88 -33.05 73.14 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.027 0.831 . . . . 0.0 112.204 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 -44.0 85.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 122.805 0.442 . . . . 0.0 111.827 172.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -67.92 -33.95 75.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.132 1.373 . . . . 0.0 112.905 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -65.24 -49.73 68.53 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.528 1.131 . . . . 0.0 111.115 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -60.18 -20.84 60.44 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -67.7 -26.42 66.16 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.892 0.877 . . . . 0.0 112.888 173.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.35 -31.01 5.75 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.522 1.929 . . . . 0.0 113.695 -173.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 55.03 46.0 25.14 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.588 1.955 . . . . 0.0 112.928 -170.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.48 -45.8 89.1 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.377 -0.827 . . . . 0.0 112.631 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -88.33 138.62 31.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.42 1.088 . . . . 0.0 110.035 169.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 55.4 mt -138.13 133.72 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.338 1.455 . . . . 0.0 109.504 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.18 125.86 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.276 1.03 . . . . 0.0 109.408 170.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 63.3 p -109.43 -5.83 15.66 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -174.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.944 1.698 . . . . 0.0 113.858 177.686 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.8 m 53.92 39.93 31.0 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.585 1.554 . . . . 0.0 114.783 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -65.57 141.62 58.37 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.065 0.946 . . . . 0.0 113.036 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -86.96 59.3 5.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.312 1.445 . . . . 0.0 111.709 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -125.17 144.66 50.33 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.454 1.902 . . . . 0.0 111.545 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -99.45 53.06 0.94 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.369 1.468 . . . . 0.0 111.448 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 57.72 16.43 3.49 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.906 2.083 . . . . 0.0 115.433 -174.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 91.8 m -139.83 138.71 35.99 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.2 1.8 . . . . 0.0 109.983 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -117.55 -15.94 10.19 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -173.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -74.62 156.7 36.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.706 0.802 . . . . 0.0 112.678 -176.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -99.18 158.34 15.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.322 1.049 . . . . 0.0 111.454 175.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -61.86 -9.97 8.11 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -95.81 -41.17 8.97 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.474 . . . . 0.0 112.48 172.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.9 -42.06 98.63 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.206 0.912 . . . . 0.0 111.552 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 mt -56.17 -31.68 63.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.105 1.362 . . . . 0.0 112.932 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -69.14 -41.78 76.86 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.696 0.798 . . . . 0.0 111.554 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -72.57 -34.05 67.2 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.989 0.515 . . . . 0.0 111.559 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.64 -51.2 63.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.335 1.054 . . . . 0.0 111.276 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.63 -29.4 67.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -38.29 59.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.131 0.878 . . . . 0.0 112.867 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 19' ' ' THR . . . . . 0.428 HG21 HG21 ' P' ' 34' ' ' ILE . 1.2 t -78.65 -24.39 45.23 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.556 -0.715 . . . . 0.0 112.344 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.05 -27.36 68.84 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.429 1.092 . . . . 0.0 112.599 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -70.24 -39.54 74.99 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.207 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -91.01 -22.01 20.99 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.489 1.115 . . . . 0.0 113.926 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -135.51 103.67 5.55 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.719 1.208 . . . . 0.0 110.029 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -81.9 -9.44 59.59 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -151.32 64.3 6.02 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.889 1.276 . . . . 0.0 112.553 -172.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -66.61 152.97 79.61 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.993 2.462 . . . . 0.0 112.408 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -114.7 178.33 4.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.344 2.257 . . . . 0.0 110.523 -173.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.0 ptm -51.58 -28.06 12.92 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.624 -1.298 . . . . 0.0 114.043 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -44.5 14.0 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.739 0.816 . . . . 0.0 112.161 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.45 -34.24 41.73 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.144 0.978 . . . . 0.0 113.27 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 81.2 mtm-85 -58.78 -46.1 88.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.159 0.983 . . . . 0.0 111.717 169.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.9 -43.2 98.84 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.004 -0.435 . . . . 0.0 111.419 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.66 -32.18 67.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 34' ' ' ILE . . . . . 0.428 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -85.33 -32.82 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.908 1.231 . . . . 0.0 111.925 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -29.9 67.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.54 1.136 . . . . 0.0 112.883 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.4 -32.93 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.867 2.467 . . . . 0.0 113.944 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -115.01 7.12 15.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.908 1.283 . . . . 0.0 113.461 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -115.41 5.94 14.67 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.147 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 57.86 40.85 25.58 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.649 1.58 . . . . 0.0 113.653 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -117.04 179.74 3.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.975 1.71 . . . . 0.0 111.589 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -126.22 163.55 22.92 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.127 1.371 . . . . 0.0 109.591 168.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -29.67 69.08 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.87 -1.144 . . . . 0.0 113.249 -171.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.97 70.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.973 1.309 . . . . 0.0 113.217 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -70.22 -38.42 75.25 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.055 0.843 . . . . 0.0 111.179 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 t -67.62 -47.36 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 174.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.66 -50.0 69.24 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.344 . . . . 0.0 111.623 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -70.37 -36.67 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.083 0.553 . . . . 0.0 112.232 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -65.04 -48.29 74.39 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.602 0.637 . . . . 0.0 111.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.03 -31.24 72.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.872 0.869 . . . . 0.0 112.357 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -69.76 -41.22 75.47 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.389 1.076 . . . . 0.0 111.855 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -68.72 -40.9 79.7 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -61.98 -40.79 96.83 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -70.55 -33.44 71.13 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.69 96.28 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.129 -0.357 . . . . 0.0 111.613 171.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -70.95 -36.41 72.58 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.836 0.854 . . . . 0.0 113.035 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -58.87 -47.01 86.44 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.94 0.896 . . . . 0.0 111.877 174.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -61.32 -22.05 64.54 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.16 -24.97 65.94 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 171.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -113.4 -32.07 6.36 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.725 1.61 . . . . 0.0 114.175 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 55.32 44.65 27.01 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.139 1.775 . . . . 0.0 113.256 -170.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -64.47 -46.82 81.4 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 121.296 -0.878 . . . . 0.0 112.335 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -86.35 151.0 23.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.636 1.174 . . . . 0.0 110.47 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 38.7 mm -127.59 130.11 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.233 1.413 . . . . 0.0 109.638 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.16 140.29 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.349 1.06 . . . . 0.0 110.278 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 4.8 t -80.92 -5.96 58.09 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 126.44 1.896 . . . . 0.0 112.927 -178.744 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 . . . . . 0 CA--C 1.537 0.449 0 CA-C-O 120.921 0.391 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.8 p -107.01 160.62 15.4 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.176 1.391 . . . . 0.0 111.444 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -60.44 -11.66 7.43 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -95.8 -41.53 8.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.244 1.418 . . . . 0.0 112.548 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.91 -40.83 94.63 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.252 -0.905 . . . . 0.0 111.704 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.64 -30.06 65.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.954 1.302 . . . . 0.0 113.138 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -71.51 -41.18 69.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.427 0.691 . . . . 0.0 111.461 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -70.88 -33.09 70.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.049 0.539 . . . . 0.0 111.924 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.88 -51.32 62.65 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.336 1.055 . . . . 0.0 111.592 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.45 -20.06 60.8 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.02 -47.1 30.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.617 0.767 . . . . 0.0 111.935 169.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.436 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -71.23 -23.39 61.99 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.931 -1.106 . . . . 0.0 112.682 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.92 -23.53 61.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.523 1.529 . . . . 0.0 112.624 169.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -77.68 -38.43 47.53 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.296 -0.877 . . . . 0.0 113.013 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.2 -25.65 31.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.794 1.238 . . . . 0.0 113.021 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -140.55 107.64 5.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.886 1.274 . . . . 0.0 110.361 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -87.64 -6.97 58.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.615 0.766 . . . . 0.0 112.975 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -153.24 65.2 5.44 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.219 1.408 . . . . 0.0 111.987 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -67.73 154.83 72.18 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.446 2.098 . . . . 0.0 112.565 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -118.36 177.15 4.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.468 2.307 . . . . 0.0 110.185 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.6 ptm -48.08 -32.91 7.36 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.636 -1.29 . . . . 0.0 113.886 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 35.5 m -80.07 -42.0 24.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.322 0.649 . . . . 0.0 112.332 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -33.73 28.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.025 0.93 . . . . 0.0 113.104 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.32 -44.77 84.46 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.058 -1.026 . . . . 0.0 111.16 169.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.34 -42.39 92.92 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.243 0.474 . . . . 0.0 112.075 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -51.58 -40.92 60.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.805 0.842 . . . . 0.0 112.895 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.436 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -82.25 -32.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.968 0.804 . . . . 0.0 111.469 178.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.1 -28.21 64.16 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.83 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.28 -31.57 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 127.194 2.197 . . . . 0.0 114.121 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -115.7 5.78 14.32 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.854 1.262 . . . . 0.0 113.495 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -114.08 3.86 15.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 113.182 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t30 57.55 44.04 21.68 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.638 1.575 . . . . 0.0 113.639 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -117.24 -176.92 3.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.314 1.846 . . . . 0.0 111.243 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -130.5 162.25 29.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.976 1.311 . . . . 0.0 109.694 168.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.53 -29.99 64.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.36 88.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.019 0.928 . . . . 0.0 112.29 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -59.31 -46.46 88.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.887 0.875 . . . . 0.0 110.313 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.8 t -63.32 -45.44 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.011 0.525 . . . . 0.0 110.936 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -58.86 -46.53 87.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.874 0.869 . . . . 0.0 112.119 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.85 -43.78 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.017 1.327 . . . . 0.0 111.31 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.13 -49.51 71.89 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 122.794 0.438 . . . . 0.0 111.814 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -63.59 -32.97 74.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.682 0.793 . . . . 0.0 112.402 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -65.33 -48.7 72.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.638 0.775 . . . . 0.0 111.195 174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 . . . . . 0 CA--C 1.538 0.512 0 C-N-CA 122.942 0.497 . . . . 0.0 111.584 175.041 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 N--CA 1.47 0.532 0 CA-C-O 120.732 0.301 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -100.57 158.96 15.54 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.448 1.099 . . . . 0.0 111.237 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.6 m -61.23 -11.44 9.44 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.21 -40.76 9.02 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.271 1.428 . . . . 0.0 112.519 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.58 -42.27 96.37 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.271 -0.893 . . . . 0.0 111.654 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -55.8 -31.71 62.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.965 1.306 . . . . 0.0 113.197 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -69.49 -40.4 77.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -73.02 -31.0 64.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.354 0.661 . . . . 0.0 111.835 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.46 -51.08 55.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.389 1.076 . . . . 0.0 111.573 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.76 -23.88 63.44 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.24 -47.42 35.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.118 0.872 . . . . 0.0 112.222 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.417 HG21 HG21 ' P' ' 34' ' ' ILE . 1.9 t -70.91 -25.41 62.75 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.012 -1.055 . . . . 0.0 112.565 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -57.46 -29.44 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.307 1.443 . . . . 0.0 111.952 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -71.97 -39.51 69.29 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.431 -0.793 . . . . 0.0 113.088 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -82.69 -27.2 31.4 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.554 0.742 . . . . 0.0 112.812 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -138.63 101.05 4.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.658 1.183 . . . . 0.0 110.489 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -84.26 -4.98 59.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.948 0.899 . . . . 0.0 112.898 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -152.26 63.99 5.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.701 1.6 . . . . 0.0 112.078 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.67 156.27 66.06 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.558 2.172 . . . . 0.0 112.354 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -119.66 176.75 5.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.09 2.156 . . . . 0.0 110.433 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.0 ptm -49.68 -31.27 10.72 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.804 -1.185 . . . . 0.0 113.92 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.2 m -81.35 -42.6 20.27 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.512 0.725 . . . . 0.0 112.297 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.92 34.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.3 -46.01 79.99 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.363 0.983 . . . . 0.0 111.449 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.46 -40.6 89.49 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 119.058 -0.496 . . . . 0.0 112.181 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -52.15 -39.22 59.67 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.129 0.877 . . . . 0.0 112.868 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.417 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -83.21 -31.68 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.215 0.916 . . . . 0.0 111.812 178.012 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.33 -27.99 62.78 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.387 1.075 . . . . 0.0 112.939 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.79 -31.4 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.25 2.22 . . . . 0.0 114.04 -171.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -115.59 6.26 14.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.953 1.301 . . . . 0.0 113.618 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -114.75 5.05 15.16 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.6 1.16 . . . . 0.0 113.317 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 49.0 t30 57.42 42.76 24.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.446 1.498 . . . . 0.0 113.472 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.2 mt -116.09 -178.04 3.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.16 1.784 . . . . 0.0 111.033 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -131.39 167.81 18.65 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.446 1.498 . . . . 0.0 109.881 168.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.21 -41.94 50.6 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.559 1.072 . . . . 0.0 112.062 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.83 92.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.243 0.617 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 -58.34 -47.99 81.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.724 0.81 . . . . 0.0 111.314 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.63 -45.06 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 122.749 0.42 . . . . 0.0 110.965 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -57.98 -46.46 85.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.68 1.192 . . . . 0.0 111.312 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -62.27 -44.52 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.869 1.268 . . . . 0.0 111.712 175.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -65.74 -44.92 84.48 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.23 -33.04 72.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 111.986 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -67.08 -44.92 78.83 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.951 -1.093 . . . . 0.0 111.241 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 123.237 0.615 . . . . 0.0 111.777 171.402 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -103.02 160.16 14.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.106 1.362 . . . . 0.0 111.178 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.2 m -61.01 -11.53 8.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -95.35 -41.58 8.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.228 1.411 . . . . 0.0 112.48 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.25 -41.49 96.99 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.238 -0.914 . . . . 0.0 111.747 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.66 -30.49 63.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.068 1.347 . . . . 0.0 113.173 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -70.61 -42.0 71.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.471 0.709 . . . . 0.0 111.417 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -70.83 -34.14 71.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.235 0.614 . . . . 0.0 111.74 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.97 -51.42 61.83 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.298 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.18 -20.32 60.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.779 1.399 . . . . 0.0 114.779 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -46.85 29.35 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.7 0.682 . . . . 0.0 112.132 170.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -70.85 -26.72 63.39 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.119 -0.988 . . . . 0.0 112.292 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.56 -28.77 60.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.461 1.504 . . . . 0.0 112.768 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.6 -38.3 70.88 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.357 -0.839 . . . . 0.0 113.063 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -88.69 -23.39 23.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.679 1.192 . . . . 0.0 113.743 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -138.95 101.02 4.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.143 1.377 . . . . 0.0 109.919 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -80.23 -10.93 59.77 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -150.54 65.71 7.23 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.23 1.412 . . . . 0.0 111.968 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -66.49 156.94 63.03 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.017 2.478 . . . . 0.0 112.443 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -118.02 176.65 5.11 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.259 2.224 . . . . 0.0 110.539 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.4 -31.56 9.83 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.718 -1.239 . . . . 0.0 114.042 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.8 m -80.9 -43.58 19.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.459 0.703 . . . . 0.0 112.13 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.16 -35.52 41.83 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.928 0.891 . . . . 0.0 112.973 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -56.19 -47.47 78.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.439 1.096 . . . . 0.0 111.612 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -41.27 94.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.041 -0.412 . . . . 0.0 111.708 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.33 -32.17 64.42 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.33 -32.52 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 120.002 1.274 . . . . 0.0 111.979 172.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.93 65.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.468 1.107 . . . . 0.0 112.879 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.42 -34.05 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 127.824 2.45 . . . . 0.0 114.041 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -114.08 6.15 16.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.727 1.211 . . . . 0.0 113.412 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.3 p -114.45 4.57 15.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.748 1.219 . . . . 0.0 113.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.13 42.56 22.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.495 1.518 . . . . 0.0 113.078 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -116.77 -177.91 3.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.31 1.844 . . . . 0.0 111.252 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.5 t -130.94 167.2 19.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.343 1.457 . . . . 0.0 109.562 168.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.12 -42.04 49.81 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.115 0.871 . . . . 0.0 111.961 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.51 91.43 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.1 0.56 . . . . 0.0 112.027 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -61.02 -46.95 88.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.995 0.918 . . . . 0.0 110.817 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.91 -44.75 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.021 0.373 . . . . 0.0 111.274 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -58.55 -46.37 87.02 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.764 1.226 . . . . 0.0 111.327 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.678 1.191 . . . . 0.0 111.647 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -64.07 -49.08 73.69 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.48 0.582 . . . . 0.0 111.827 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.1 -32.08 73.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.243 0.617 . . . . 0.0 112.108 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -66.75 -39.48 87.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.022 0.929 . . . . 0.0 111.99 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 . . . . . 0 CA--C 1.539 0.53 0 O-C-N 122.006 -0.434 . . . . 0.0 111.986 170.509 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 N--CA 1.469 0.501 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -104.4 160.3 15.02 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.052 1.341 . . . . 0.0 111.135 170.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.7 m -61.03 -11.81 9.56 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -95.36 -41.39 9.03 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.23 1.412 . . . . 0.0 112.482 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.79 -41.49 95.69 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.288 -0.882 . . . . 0.0 111.613 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.96 -30.64 64.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.988 1.315 . . . . 0.0 113.188 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -70.76 -41.31 71.92 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.445 0.698 . . . . 0.0 111.39 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.85 -32.52 67.58 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.19 0.596 . . . . 0.0 111.919 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.3 mt -65.69 -49.81 67.17 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 172.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.45 -16.82 60.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.98 -47.3 21.17 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.805 0.842 . . . . 0.0 112.176 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.433 HG21 HG21 ' P' ' 34' ' ' ILE . 2.4 t -70.12 -25.18 63.37 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.973 -1.08 . . . . 0.0 112.365 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.89 -28.21 55.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.738 1.615 . . . . 0.0 112.362 169.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -72.09 -37.73 69.51 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -86.33 -26.77 24.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.864 0.866 . . . . 0.0 113.131 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -142.33 103.96 4.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.012 1.325 . . . . 0.0 110.225 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -81.09 -11.47 59.49 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -151.05 66.71 7.38 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.134 1.374 . . . . 0.0 111.99 -172.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -66.93 156.34 66.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.127 2.551 . . . . 0.0 112.737 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -117.42 177.27 4.8 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.205 2.202 . . . . 0.0 110.83 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.2 ptm -50.15 -28.99 8.25 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.628 -1.295 . . . . 0.0 114.111 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 31.8 p -80.74 -50.4 9.92 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.113 1.365 . . . . 0.0 112.702 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.38 -33.85 61.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.226 1.01 . . . . 0.0 113.147 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -58.36 -47.17 84.68 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.243 1.017 . . . . 0.0 111.397 169.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.05 -41.99 99.62 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.913 -0.492 . . . . 0.0 111.323 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.58 -36.05 61.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.433 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -86.77 -31.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.636 1.107 . . . . 0.0 111.969 176.073 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.52 63.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.318 1.047 . . . . 0.0 112.668 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.32 -31.7 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 127.294 2.238 . . . . 0.0 114.144 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -115.97 6.19 14.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.831 1.252 . . . . 0.0 113.479 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 76.5 p -114.83 5.23 15.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.717 1.207 . . . . 0.0 113.238 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.88 42.91 22.36 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.595 1.558 . . . . 0.0 113.708 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -117.19 -178.53 3.47 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.096 1.758 . . . . 0.0 111.463 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.0 t -130.7 164.7 24.48 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.446 1.498 . . . . 0.0 109.618 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -31.18 67.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.875 -1.141 . . . . 0.0 113.104 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.54 85.11 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.479 1.112 . . . . 0.0 112.441 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -62.29 -44.79 95.71 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.328 -0.858 . . . . 0.0 110.421 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.39 -44.39 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.526 0.33 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -55.76 -48.24 75.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.949 1.3 . . . . 0.0 111.372 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.749 1.22 . . . . 0.0 111.531 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.9 -47.44 77.77 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.058 0.845 . . . . 0.0 112.195 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.65 -24.09 64.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.567 0.747 . . . . 0.0 112.794 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -74.45 -37.24 63.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.472 1.109 . . . . 0.0 111.991 169.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 . . . . . 0 CA--C 1.54 0.574 0 O-C-N 121.541 -0.724 . . . . 0.0 112.38 171.448 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -96.84 158.09 15.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.117 0.967 . . . . 0.0 111.368 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -61.92 -8.67 5.4 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -97.96 -41.59 7.92 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.352 1.461 . . . . 0.0 112.399 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.73 -42.66 93.63 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.154 0.888 . . . . 0.0 111.523 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.01 -30.67 64.38 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.026 1.33 . . . . 0.0 113.216 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -71.1 -41.4 70.65 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.373 0.669 . . . . 0.0 111.314 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -71.3 -33.18 69.47 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.154 0.582 . . . . 0.0 111.861 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.74 -50.13 65.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.322 1.049 . . . . 0.0 111.503 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -74.72 -18.44 60.5 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -47.1 27.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.825 0.85 . . . . 0.0 112.024 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.445 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -70.11 -25.38 63.47 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.9 -1.125 . . . . 0.0 112.482 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.95 -27.24 60.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.498 1.519 . . . . 0.0 112.595 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -72.95 -38.73 66.65 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.459 -0.776 . . . . 0.0 113.0 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -84.38 -27.26 27.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.695 0.798 . . . . 0.0 113.015 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -141.57 103.15 4.33 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.004 1.322 . . . . 0.0 110.125 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -80.87 -12.08 59.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -150.95 66.81 7.5 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 125.264 1.426 . . . . 0.0 111.79 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.51 151.95 81.87 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.213 2.609 . . . . 0.0 113.417 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -110.93 177.42 4.67 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 126.872 2.069 . . . . 0.0 111.106 -170.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.08 -26.04 14.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.514 -1.366 . . . . 0.0 114.166 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -86.04 -46.61 10.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.11 0.964 . . . . 0.0 111.81 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -34.49 54.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.65 1.114 . . . . 0.0 111.758 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.57 0.348 . . . . 0.0 111.654 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.98 -38.62 65.23 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.93 0.892 . . . . 0.0 112.881 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.445 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -83.69 -32.19 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 119.088 0.858 . . . . 0.0 111.688 177.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.76 67.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.216 1.006 . . . . 0.0 112.658 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.23 -30.82 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.205 2.202 . . . . 0.0 114.135 -171.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -116.71 7.11 13.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.007 1.323 . . . . 0.0 113.512 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -114.84 6.0 15.34 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.616 1.166 . . . . 0.0 113.371 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.7 t30 58.25 40.71 24.42 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.448 1.499 . . . . 0.0 113.629 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.29 179.8 3.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.975 1.71 . . . . 0.0 111.3 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.21 160.88 28.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.817 1.247 . . . . 0.0 109.278 167.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.84 -28.48 67.53 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.846 -1.159 . . . . 0.0 113.397 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.82 89.52 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.735 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -60.65 -44.16 96.75 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.6 -45.19 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.99 0.516 . . . . 0.0 109.996 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -59.95 -44.16 94.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.086 0.955 . . . . 0.0 112.244 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.55 -45.42 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.803 1.241 . . . . 0.0 111.586 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.57 -47.13 82.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.278 0.49 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -65.86 -32.21 73.59 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.451 0.7 . . . . 0.0 112.599 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -66.79 -37.84 85.33 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.966 0.906 . . . . 0.0 111.782 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 169.671 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 120.627 0.251 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -94.35 158.0 15.77 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.825 0.85 . . . . 0.0 111.681 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.5 m -63.6 -7.17 6.54 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -91.25 -44.54 9.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.219 1.007 . . . . 0.0 111.174 169.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.98 -45.39 92.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.861 0.864 . . . . 0.0 111.516 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.26 -32.29 66.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.948 1.299 . . . . 0.0 112.876 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -75.29 -37.39 60.9 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.84 -33.65 72.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.518 0.599 . . . . 0.0 111.8 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.9 -51.3 57.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.413 1.085 . . . . 0.0 111.687 174.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.17 -23.78 63.04 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.5 -47.72 25.77 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.952 0.796 . . . . 0.0 112.189 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.11 -27.69 65.81 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.184 -0.947 . . . . 0.0 112.088 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -57.11 -28.48 62.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.691 1.596 . . . . 0.0 112.873 170.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -71.61 -38.8 70.78 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.009 0.822 . . . . 0.0 113.035 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -89.74 -23.46 21.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.368 1.067 . . . . 0.0 113.733 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -138.75 101.78 4.41 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.078 1.351 . . . . 0.0 109.57 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -79.98 -12.37 59.72 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -150.24 65.78 7.48 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 125.13 1.372 . . . . 0.0 112.072 -173.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -65.68 152.43 81.71 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.069 2.513 . . . . 0.0 112.683 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -113.53 178.19 4.37 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.101 2.16 . . . . 0.0 110.794 -171.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.7 ptm -52.19 -26.55 11.84 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.562 -1.336 . . . . 0.0 114.315 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -85.27 -47.39 10.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.818 0.847 . . . . 0.0 111.814 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -34.9 59.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.181 -0.949 . . . . 0.0 113.427 -177.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -59.6 -45.6 91.41 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.367 0.985 . . . . 0.0 112.006 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.74 -44.05 97.15 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.102 0.41 . . . . 0.0 111.188 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.83 -31.28 66.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.66 -32.2 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.963 1.256 . . . . 0.0 112.069 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.02 67.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 112.933 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.83 -32.2 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.764 2.426 . . . . 0.0 113.934 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -115.6 7.48 14.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.94 1.296 . . . . 0.0 113.461 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.55 6.67 14.69 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.682 1.193 . . . . 0.0 113.236 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.24 39.63 25.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.312 1.445 . . . . 0.0 113.077 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.26 -179.73 3.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.132 1.773 . . . . 0.0 111.342 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -127.05 162.03 26.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.25 1.42 . . . . 0.0 109.294 167.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -28.21 68.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.619 -1.301 . . . . 0.0 113.438 -172.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.16 87.71 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.318 1.047 . . . . 0.0 112.532 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -60.3 -44.88 95.02 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.317 -0.864 . . . . 0.0 111.046 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.27 -44.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.091 0.556 . . . . 0.0 110.28 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -57.43 -48.25 79.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.587 1.155 . . . . 0.0 111.537 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.84 -44.81 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.906 1.282 . . . . 0.0 111.613 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.41 -47.08 80.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.391 0.541 . . . . 0.0 111.603 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.92 -32.68 74.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.245 0.618 . . . . 0.0 112.309 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -66.19 -41.54 90.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.014 0.926 . . . . 0.0 111.537 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 . . . . . 0 CA--C 1.541 0.634 0 O-C-N 122.12 -0.363 . . . . 0.0 111.951 170.57 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -97.19 157.93 15.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.913 0.885 . . . . 0.0 111.352 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -62.06 -8.25 5.11 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -98.22 -41.35 7.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.411 1.485 . . . . 0.0 112.489 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.29 -43.06 96.59 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.228 -0.92 . . . . 0.0 111.509 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.0 mt -55.96 -32.23 63.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.005 1.322 . . . . 0.0 113.2 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -68.95 -41.17 78.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.458 0.703 . . . . 0.0 111.563 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.17 -31.29 64.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.172 0.589 . . . . 0.0 111.804 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.64 -49.97 60.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.365 1.066 . . . . 0.0 111.422 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.96 -24.8 63.4 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.29 -47.0 29.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.547 0.739 . . . . 0.0 112.323 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.445 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -70.57 -24.91 62.86 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.032 -1.042 . . . . 0.0 112.386 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -58.94 -24.83 62.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.079 1.352 . . . . 0.0 112.704 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.07 -39.1 63.7 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.252 -0.905 . . . . 0.0 113.001 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -83.6 -27.35 29.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.682 0.793 . . . . 0.0 112.886 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -139.05 105.62 5.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.827 1.251 . . . . 0.0 110.464 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -84.95 -8.81 58.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.19 65.88 6.31 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.035 1.334 . . . . 0.0 111.872 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -67.52 151.34 79.91 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.92 2.413 . . . . 0.0 113.137 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.99 177.67 4.57 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.875 2.07 . . . . 0.0 110.879 -170.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.15 -25.85 14.86 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.596 -1.315 . . . . 0.0 114.136 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -86.09 -46.31 10.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.146 0.978 . . . . 0.0 111.811 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -34.34 50.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.46 -45.39 91.75 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.622 1.101 . . . . 0.0 111.748 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -61.21 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 122.08 -0.387 . . . . 0.0 111.732 171.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.03 -38.95 65.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.864 0.866 . . . . 0.0 112.833 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.445 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -82.98 -32.69 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.149 0.886 . . . . 0.0 111.579 177.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.85 67.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.438 1.095 . . . . 0.0 112.628 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.13 -30.41 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.406 2.282 . . . . 0.0 114.144 -171.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -117.19 7.59 13.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.906 1.282 . . . . 0.0 113.449 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -115.37 6.33 14.82 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.58 40.44 23.65 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.33 1.452 . . . . 0.0 113.023 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.29 -179.61 3.76 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.099 1.76 . . . . 0.0 111.351 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -126.65 161.7 27.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.173 1.389 . . . . 0.0 109.315 167.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.2 -28.41 67.96 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.642 -1.286 . . . . 0.0 113.587 -172.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.06 91.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.593 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -59.95 -44.45 94.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.837 0.855 . . . . 0.0 111.195 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.1 -45.14 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.198 0.599 . . . . 0.0 109.914 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -59.9 -43.62 94.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.961 0.904 . . . . 0.0 112.29 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.07 -44.94 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.805 1.242 . . . . 0.0 111.598 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -64.33 -47.08 80.76 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.889 0.768 . . . . 0.0 111.812 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.09 -28.07 68.55 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.991 0.917 . . . . 0.0 112.865 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -70.42 -44.38 68.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.259 1.023 . . . . 0.0 111.635 170.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 . . . . . 0 CA--C 1.541 0.604 0 O-C-N 122.018 -0.427 . . . . 0.0 111.932 173.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 p -100.05 158.81 15.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.923 1.289 . . . . 0.0 111.685 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.3 m -63.11 -6.54 4.27 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -92.01 -44.04 9.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.188 0.995 . . . . 0.0 111.255 169.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.0 -43.96 94.09 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.344 -0.847 . . . . 0.0 111.599 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.23 -31.82 67.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.022 1.329 . . . . 0.0 112.845 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -74.66 -38.31 62.47 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.329 0.652 . . . . 0.0 112.255 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -69.99 -34.76 73.77 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.778 0.717 . . . . 0.0 111.745 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.9 mt -65.5 -51.74 57.78 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.349 1.06 . . . . 0.0 111.456 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.17 -18.36 60.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.7 -47.34 19.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.565 0.746 . . . . 0.0 112.034 169.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.69 -26.92 64.6 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.012 -1.055 . . . . 0.0 112.305 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -55.36 -29.27 58.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.938 1.695 . . . . 0.0 112.831 169.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.93 -36.69 67.27 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -89.42 -23.91 22.03 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.666 1.186 . . . . 0.0 113.693 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -138.74 102.14 4.5 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.144 1.378 . . . . 0.0 109.701 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -81.12 -10.59 59.63 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -150.88 65.77 7.03 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.069 1.347 . . . . 0.0 112.172 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -67.07 155.86 68.93 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.961 2.44 . . . . 0.0 112.599 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -117.76 176.94 4.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.16 2.184 . . . . 0.0 110.494 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.11 -29.88 9.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.696 -1.252 . . . . 0.0 114.019 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -82.82 -43.13 17.03 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.415 0.686 . . . . 0.0 112.499 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.07 -35.02 43.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.922 0.889 . . . . 0.0 112.865 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -57.38 -46.92 82.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.367 1.067 . . . . 0.0 111.382 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.15 -42.7 99.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.215 0.461 . . . . 0.0 111.14 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.97 -30.66 64.29 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -32.94 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 120.079 1.309 . . . . 0.0 112.115 172.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.07 65.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 112.705 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.54 -32.6 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 127.736 2.415 . . . . 0.0 113.979 -173.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.68 7.51 14.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.857 1.263 . . . . 0.0 113.338 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -115.88 6.69 14.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.889 1.276 . . . . 0.0 113.157 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.38 40.22 24.51 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.59 1.556 . . . . 0.0 113.902 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -118.11 -177.22 3.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.147 1.779 . . . . 0.0 111.852 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.8 t -132.98 165.52 24.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.781 1.632 . . . . 0.0 109.707 168.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -31.21 68.13 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.023 -1.048 . . . . 0.0 113.268 -171.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.88 -37.54 86.41 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.256 1.022 . . . . 0.0 112.127 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -63.59 -44.09 95.06 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.821 0.848 . . . . 0.0 110.979 173.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.53 -44.72 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 122.762 0.425 . . . . 0.0 110.65 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.69 -49.69 72.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.951 1.301 . . . . 0.0 111.344 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.697 1.199 . . . . 0.0 111.533 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.76 -47.03 79.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.515 0.598 . . . . 0.0 111.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -68.42 -24.14 64.71 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.017 0.927 . . . . 0.0 113.117 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -75.74 -36.12 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.651 1.18 . . . . 0.0 111.893 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 . . . . . 0 CA--C 1.543 0.682 0 O-C-N 121.898 -0.501 . . . . 0.0 111.963 169.561 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 120.712 0.291 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p -98.94 159.34 15.03 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.398 1.079 . . . . 0.0 111.256 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.9 m -61.29 -10.16 6.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -96.77 -41.51 8.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.262 1.425 . . . . 0.0 112.484 172.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.52 -41.72 94.96 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.25 -0.906 . . . . 0.0 111.671 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.7 mt -57.08 -30.74 64.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.113 1.365 . . . . 0.0 113.199 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -71.09 -40.99 71.2 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.371 0.669 . . . . 0.0 111.339 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -71.83 -32.36 67.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.252 0.621 . . . . 0.0 111.945 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.66 -50.38 65.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.396 1.078 . . . . 0.0 111.521 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.21 -17.19 60.93 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.15 -47.05 25.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.551 0.74 . . . . 0.0 112.042 169.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.424 HG21 HG21 ' P' ' 34' ' ' ILE . 2.5 t -70.25 -25.18 63.25 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.028 -1.045 . . . . 0.0 112.357 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.98 -32.98 62.09 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.131 1.372 . . . . 0.0 111.881 169.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -68.32 -36.9 79.98 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.46 -0.775 . . . . 0.0 113.044 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -86.32 -26.97 24.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.985 0.914 . . . . 0.0 113.095 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -143.14 102.32 3.97 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.835 1.254 . . . . 0.0 110.865 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -81.02 -8.85 59.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.692 0.797 . . . . 0.0 113.056 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -151.79 65.39 6.32 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.198 1.399 . . . . 0.0 111.968 -174.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -66.66 152.84 79.84 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.099 2.532 . . . . 0.0 113.016 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -112.96 177.27 4.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.894 2.078 . . . . 0.0 110.764 -171.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.1 ptm -51.66 -27.97 13.15 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.665 -1.272 . . . . 0.0 114.125 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 32.6 m -84.3 -44.0 14.26 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.77 0.828 . . . . 0.0 112.164 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -34.13 40.38 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.029 0.932 . . . . 0.0 113.151 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -59.86 -45.29 92.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.078 -1.014 . . . . 0.0 111.964 170.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.66 -43.54 98.66 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.047 -0.408 . . . . 0.0 111.564 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.9 -37.3 63.63 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.668 0.787 . . . . 0.0 112.957 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.424 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -85.05 -32.21 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.213 0.915 . . . . 0.0 111.934 177.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.04 -29.3 67.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.145 0.978 . . . . 0.0 112.622 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.39 -30.85 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 127.31 2.244 . . . . 0.0 114.183 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -116.66 6.77 13.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.871 1.268 . . . . 0.0 113.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -114.4 5.84 15.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.617 1.167 . . . . 0.0 113.366 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 57.81 41.19 25.31 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.433 1.493 . . . . 0.0 113.525 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -116.56 -179.87 3.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.034 1.734 . . . . 0.0 111.285 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -127.46 161.35 28.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.144 1.378 . . . . 0.0 109.027 167.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -28.48 67.27 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.058 -1.026 . . . . 0.0 113.302 -171.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.82 -38.07 85.74 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.558 1.143 . . . . 0.0 112.679 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.46 -45.76 92.55 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.277 -0.889 . . . . 0.0 110.211 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.75 -43.47 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.229 0.611 . . . . 0.0 110.747 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -58.0 -46.78 84.7 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.038 1.335 . . . . 0.0 111.615 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.17 -44.84 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.733 1.213 . . . . 0.0 111.375 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.22 -48.42 75.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.369 0.531 . . . . 0.0 111.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.66 -21.96 64.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -74.21 -42.53 59.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 111.46 169.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.649 0.261 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -94.69 157.53 15.92 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.783 0.833 . . . . 0.0 111.695 175.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -63.19 -6.82 4.75 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -91.5 -44.44 9.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 0.0 111.002 169.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -63.22 -45.82 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.47 -0.769 . . . . 0.0 111.297 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.83 -33.06 66.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.938 1.295 . . . . 0.0 112.932 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.38 -38.25 60.09 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.261 0.624 . . . . 0.0 112.178 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.76 -34.87 76.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.779 0.718 . . . . 0.0 111.76 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.0 -52.24 51.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.279 1.031 . . . . 0.0 111.396 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.07 -20.13 60.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.1 -44.18 26.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.421 0.688 . . . . 0.0 112.16 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -26.2 62.53 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.916 -1.115 . . . . 0.0 112.423 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.51 -26.59 61.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.502 1.521 . . . . 0.0 112.369 168.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.93 -37.7 61.97 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 113.193 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -83.93 -27.65 28.41 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.908 0.883 . . . . 0.0 112.886 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -138.19 101.2 4.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.1 1.36 . . . . 0.0 109.734 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.23 -11.82 59.69 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -150.19 66.57 7.92 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.114 1.366 . . . . 0.0 111.914 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -67.03 157.9 59.44 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.049 2.499 . . . . 0.0 112.665 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -120.55 -179.42 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.066 2.146 . . . . 0.0 110.419 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -51.12 -31.61 20.0 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.488 -1.383 . . . . 0.0 113.591 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 26.7 p -77.0 -49.45 15.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.885 1.274 . . . . 0.0 112.224 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -34.71 50.69 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.121 0.968 . . . . 0.0 113.089 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtm105 -60.46 -43.54 96.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.554 1.07 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.22 -44.45 96.54 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.326 0.512 . . . . 0.0 111.433 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.52 -32.46 67.07 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.46 -32.19 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.87 1.213 . . . . 0.0 111.833 173.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -29.93 67.3 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.382 1.073 . . . . 0.0 112.977 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.79 -31.43 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.856 2.463 . . . . 0.0 114.015 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -116.36 7.32 13.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.97 1.308 . . . . 0.0 113.522 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 65.7 p -115.25 6.67 15.04 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.67 1.188 . . . . 0.0 113.312 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.68 39.73 24.11 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.213 1.405 . . . . 0.0 113.052 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -116.95 -177.23 3.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.28 1.832 . . . . 0.0 111.214 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -130.79 163.63 26.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.538 1.535 . . . . 0.0 109.628 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.53 -25.83 64.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.96 -37.69 69.88 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.669 1.188 . . . . 0.0 112.386 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -59.22 -44.5 92.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.713 0.805 . . . . 0.0 111.004 172.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.87 -44.04 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.306 0.642 . . . . 0.0 110.359 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -60.33 -45.23 94.18 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.287 0.635 . . . . 0.0 112.175 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -42.57 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.892 1.277 . . . . 0.0 111.501 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -66.87 -46.91 73.5 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.113 0.87 . . . . 0.0 112.133 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -64.87 -30.4 71.4 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.673 -0.642 . . . . 0.0 111.384 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -70.22 -39.44 75.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.881 0.872 . . . . 0.0 112.494 171.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 . . . . . 0 CA--C 1.541 0.609 0 O-C-N 121.526 -0.734 . . . . 0.0 111.84 170.875 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -102.64 159.65 15.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.855 1.262 . . . . 0.0 111.737 172.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.3 m -62.19 -10.63 11.14 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -91.24 -42.23 10.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.347 1.059 . . . . 0.0 111.923 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -63.53 -42.95 98.4 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.33 -0.856 . . . . 0.0 111.683 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 mt -57.75 -32.69 67.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.95 1.3 . . . . 0.0 112.783 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.2 -38.4 69.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.356 0.662 . . . . 0.0 112.163 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -71.6 -33.27 68.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.649 -0.657 . . . . 0.0 112.008 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.76 -50.72 61.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 111.472 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.46 -25.16 63.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -47.74 31.25 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.912 0.778 . . . . 0.0 111.927 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -69.92 -26.48 64.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.253 -0.904 . . . . 0.0 112.458 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.99 -28.59 66.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.452 1.501 . . . . 0.0 112.783 170.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -72.12 -38.71 69.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.315 -0.866 . . . . 0.0 112.955 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.51 -25.25 25.2 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.482 1.113 . . . . 0.0 113.271 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -136.54 105.1 5.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.949 1.3 . . . . 0.0 110.46 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -86.24 -1.72 57.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -151.2 57.08 2.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.473 1.509 . . . . 0.0 113.416 -170.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -68.87 153.83 72.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.201 1.934 . . . . 0.0 112.483 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -120.49 178.11 4.79 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.441 2.296 . . . . 0.0 110.262 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.17 -29.24 8.87 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.782 -1.199 . . . . 0.0 114.022 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.6 m -83.19 -44.64 14.81 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.627 0.771 . . . . 0.0 112.366 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.79 -35.51 44.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.15 0.98 . . . . 0.0 112.935 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.89 -46.51 81.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.184 0.994 . . . . 0.0 111.329 169.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -62.6 -42.35 99.52 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.924 -0.485 . . . . 0.0 111.32 174.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.95 -30.29 63.92 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.53 -31.98 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.984 1.266 . . . . 0.0 112.144 172.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.64 63.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.423 1.089 . . . . 0.0 112.881 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.56 -33.47 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.741 2.416 . . . . 0.0 113.929 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -114.03 6.67 16.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.8 1.24 . . . . 0.0 113.371 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.7 p -115.73 6.08 14.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.87 1.268 . . . . 0.0 113.185 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 58.85 38.3 24.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.453 1.501 . . . . 0.0 113.78 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.0 -178.28 3.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.875 1.67 . . . . 0.0 111.567 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -132.22 164.88 25.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.618 1.567 . . . . 0.0 109.568 168.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -30.79 67.4 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.988 -1.07 . . . . 0.0 113.263 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.55 87.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.422 1.089 . . . . 0.0 112.275 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -61.72 -45.32 94.47 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.375 -0.828 . . . . 0.0 110.425 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -64.83 -45.57 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.888 0.475 . . . . 0.0 110.76 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -54.82 -49.06 71.94 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.004 1.321 . . . . 0.0 111.301 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.804 1.241 . . . . 0.0 111.607 177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.47 -45.54 86.91 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.551 0.614 . . . . 0.0 112.35 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -68.99 -34.4 75.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.543 1.137 . . . . 0.0 111.976 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttpt -65.84 -43.85 87.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.0 0.92 . . . . 0.0 111.635 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 122.724 0.409 . . . . 0.0 111.495 169.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 CA--C 1.537 0.447 0 CA-C-O 121.23 0.538 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -91.49 160.12 15.59 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.933 0.893 . . . . 0.0 110.929 174.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -57.64 -19.42 26.34 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -95.76 -39.18 9.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.298 1.039 . . . . 0.0 112.474 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -56.79 -42.82 80.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.439 1.018 . . . . 0.0 110.926 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.32 -33.21 65.39 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.486 1.115 . . . . 0.0 113.235 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -70.31 -41.97 72.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.489 0.716 . . . . 0.0 111.332 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.15 -35.03 75.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.696 0.399 . . . . 0.0 111.186 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.9 mt -66.81 -51.18 58.72 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.719 1.208 . . . . 0.0 111.568 175.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.76 -26.76 65.39 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -47.04 33.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.784 0.72 . . . . 0.0 111.925 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -70.27 -26.18 63.7 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.286 -0.884 . . . . 0.0 112.39 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.29 -25.71 65.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.27 1.428 . . . . 0.0 112.857 171.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -74.66 -38.49 62.44 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.141 -0.974 . . . . 0.0 113.129 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.55 -25.43 25.03 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.372 1.069 . . . . 0.0 113.26 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -135.81 105.02 5.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.072 1.349 . . . . 0.0 109.745 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -84.42 -9.0 58.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -150.04 63.46 6.25 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.925 1.29 . . . . 0.0 112.423 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -67.69 151.8 78.64 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.671 2.248 . . . . 0.0 112.881 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.77 177.74 4.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.386 2.274 . . . . 0.0 110.561 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.22 -29.63 5.94 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -85.17 -43.89 13.42 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 0.0 112.277 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.44 -35.19 40.82 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.935 0.894 . . . . 0.0 113.112 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -56.12 -48.23 76.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.362 0.983 . . . . 0.0 111.058 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.89 -41.53 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.002 -0.436 . . . . 0.0 111.579 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.69 -30.93 63.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.43 -32.63 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.829 1.195 . . . . 0.0 111.861 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.61 -28.08 62.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.655 1.182 . . . . 0.0 113.059 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.55 -34.83 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 127.862 2.465 . . . . 0.0 113.971 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -112.75 5.95 17.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.77 1.228 . . . . 0.0 113.296 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -115.18 5.72 14.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.891 1.276 . . . . 0.0 113.151 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 58.45 41.98 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.657 1.583 . . . . 0.0 113.821 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.4 mt -118.42 -177.47 3.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.411 1.884 . . . . 0.0 111.568 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -132.69 165.31 24.78 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.862 1.665 . . . . 0.0 109.648 168.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.92 -30.11 67.58 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.599 -1.313 . . . . 0.0 113.742 -172.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.09 91.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.011 0.924 . . . . 0.0 111.981 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -60.54 -45.3 94.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.798 0.839 . . . . 0.0 111.23 172.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.51 -46.58 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.072 0.549 . . . . 0.0 110.272 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 ttt-85 -61.38 -42.1 98.18 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.944 0.897 . . . . 0.0 112.416 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.834 1.253 . . . . 0.0 111.447 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -63.89 -46.39 85.09 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.45 -0.781 . . . . 0.0 111.896 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -66.04 -31.14 71.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.993 0.917 . . . . 0.0 112.148 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.52 -47.5 78.62 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.348 1.059 . . . . 0.0 111.318 169.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 . . . . . 0 CA--C 1.539 0.549 0 O-C-N 121.802 -0.561 . . . . 0.0 111.846 179.667 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -96.54 157.87 15.7 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.305 -0.872 . . . . 0.0 110.579 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -63.31 -6.86 5.12 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -99.45 -41.02 7.58 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.495 1.518 . . . . 0.0 112.426 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -58.73 -44.55 90.48 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.335 0.97 . . . . 0.0 111.172 178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 mt -54.65 -33.32 60.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.876 1.27 . . . . 0.0 113.438 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -70.13 -41.28 74.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.482 0.713 . . . . 0.0 111.376 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -71.37 -32.24 68.26 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.994 0.518 . . . . 0.0 111.599 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.99 -51.02 60.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.184 0.994 . . . . 0.0 111.539 174.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.92 -24.9 63.44 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -45.56 31.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.748 0.703 . . . . 0.0 112.025 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -24.75 62.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.05 -1.031 . . . . 0.0 112.232 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -59.73 -23.38 63.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.598 1.559 . . . . 0.0 112.681 169.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -77.12 -38.72 51.52 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.113 -0.992 . . . . 0.0 113.125 176.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.42 -25.57 33.56 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.621 1.168 . . . . 0.0 112.873 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -140.53 109.38 6.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.81 1.244 . . . . 0.0 110.553 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -92.08 -0.13 57.46 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.987 0.915 . . . . 0.0 112.788 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -151.56 51.25 0.77 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.704 1.602 . . . . 0.0 113.279 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -67.8 148.89 77.95 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.995 1.797 . . . . 0.0 112.834 -174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -115.06 179.48 3.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.512 2.325 . . . . 0.0 110.452 -172.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ptm -52.53 -26.21 12.5 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.548 -1.345 . . . . 0.0 114.225 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.1 t -85.8 -46.09 10.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.984 0.914 . . . . 0.0 111.988 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -32.88 46.46 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.161 -0.962 . . . . 0.0 113.595 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -60.03 -44.81 94.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.669 -1.27 . . . . 0.0 111.578 168.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.79 -42.2 98.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.01 -0.432 . . . . 0.0 111.811 171.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.1 -39.0 63.08 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.805 0.842 . . . . 0.0 112.894 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.04 -32.84 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.963 0.801 . . . . 0.0 111.439 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.87 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.376 1.07 . . . . 0.0 112.809 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.57 -30.2 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.258 2.223 . . . . 0.0 114.055 -171.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -117.06 6.85 12.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.976 1.31 . . . . 0.0 113.463 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.09 5.99 15.04 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.649 1.179 . . . . 0.0 113.322 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.04 41.35 24.3 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.294 1.438 . . . . 0.0 113.07 -176.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -116.61 179.34 4.03 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.987 1.715 . . . . 0.0 111.351 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.34 161.94 25.89 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.064 1.346 . . . . 0.0 109.441 167.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -28.33 67.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.705 -1.247 . . . . 0.0 113.334 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.53 86.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.426 1.09 . . . . 0.0 112.561 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -59.92 -44.67 94.18 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.271 0.941 . . . . 0.0 110.978 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.44 -44.35 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.196 0.598 . . . . 0.0 110.465 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -57.28 -48.02 79.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.476 1.111 . . . . 0.0 111.64 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.51 -44.98 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.865 1.266 . . . . 0.0 111.53 177.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -64.47 -47.34 79.34 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.388 0.54 . . . . 0.0 111.618 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -65.37 -33.0 74.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.418 0.687 . . . . 0.0 112.116 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -66.19 -45.14 81.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.22 0.608 . . . . 0.0 111.317 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 . . . . . 0 CA--C 1.539 0.532 0 C-N-CA 122.78 0.432 . . . . 0.0 111.832 172.616 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.3 p -98.41 159.14 15.14 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.962 0.905 . . . . 0.0 111.142 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.8 m -61.29 -11.15 8.59 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -96.34 -40.67 9.01 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.33 1.452 . . . . 0.0 112.509 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.27 -43.43 96.19 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.319 -0.863 . . . . 0.0 111.491 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.8 -32.87 60.8 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.282 176.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -68.52 -40.4 80.8 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.467 0.707 . . . . 0.0 111.536 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -74.68 -29.75 61.33 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.334 0.654 . . . . 0.0 112.047 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.76 -49.49 58.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.722 1.209 . . . . 0.0 111.133 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.55 -25.0 63.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.1 -46.98 39.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.904 0.775 . . . . 0.0 112.284 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.433 HG21 HG21 ' P' ' 34' ' ' ILE . 1.8 t -70.59 -26.2 63.41 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.948 -1.095 . . . . 0.0 112.569 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -58.18 -26.29 62.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.399 1.48 . . . . 0.0 112.392 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -73.26 -40.61 64.48 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.377 -0.827 . . . . 0.0 112.97 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -82.22 -27.81 32.31 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.634 0.774 . . . . 0.0 112.784 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -139.98 102.14 4.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.002 1.321 . . . . 0.0 110.128 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -79.52 -14.11 59.09 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -152.25 70.09 7.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 125.411 1.484 . . . . 0.0 111.827 -175.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.61 170.04 14.63 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.131 2.554 . . . . 0.0 113.202 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.6 171.32 11.75 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.274 2.23 . . . . 0.0 109.398 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 24.7 ptm -49.05 -37.04 19.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.395 1.452 . . . . 0.0 113.892 -172.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.3 m -70.81 -38.08 73.29 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.678 0.791 . . . . 0.0 112.614 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.66 -33.45 27.74 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.492 1.117 . . . . 0.0 112.766 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -62.24 -43.67 98.29 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.793 1.237 . . . . 0.0 111.74 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.41 -41.5 98.74 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.784 -0.572 . . . . 0.0 111.699 171.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -54.07 -36.72 63.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.472 0.709 . . . . 0.0 112.875 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.433 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -85.75 -31.44 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.257 0.935 . . . . 0.0 111.915 177.082 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -28.48 63.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.542 1.137 . . . . 0.0 112.915 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.16 -31.0 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 127.329 2.252 . . . . 0.0 114.147 -172.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p-90 -116.28 7.12 13.92 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.031 1.332 . . . . 0.0 113.513 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -115.45 6.45 14.75 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.725 1.21 . . . . 0.0 113.381 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 t30 58.09 40.72 24.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.438 1.495 . . . . 0.0 113.601 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.76 -178.71 3.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.995 1.718 . . . . 0.0 111.407 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -130.84 163.94 26.29 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.742 1.617 . . . . 0.0 109.212 168.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -30.88 66.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.961 -1.087 . . . . 0.0 113.162 -171.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.7 82.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.769 1.228 . . . . 0.0 112.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -62.07 -44.46 96.64 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.178 -0.951 . . . . 0.0 110.492 171.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -64.9 -41.82 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.368 0.667 . . . . 0.0 110.619 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -59.18 -46.23 88.96 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.332 . . . . 0.0 112.186 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.96 -44.85 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.238 1.015 . . . . 0.0 111.691 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -63.21 -49.43 74.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.63 0.65 . . . . 0.0 111.939 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.71 -32.16 72.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.901 -0.499 . . . . 0.0 111.87 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -66.7 -35.91 81.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.962 0.905 . . . . 0.0 111.974 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 . . . . . 0 CA--C 1.542 0.642 0 CA-C-N 118.23 0.468 . . . . 0.0 111.702 168.785 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.801 0.334 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -98.29 160.36 14.34 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.37 1.068 . . . . 0.0 110.901 170.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -57.08 -20.16 23.57 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -94.76 -38.94 10.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 112.649 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -57.55 -41.11 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.43 1.013 . . . . 0.0 111.11 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.34 -32.59 66.88 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.817 1.247 . . . . 0.0 113.283 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -69.88 -40.53 75.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.511 0.724 . . . . 0.0 111.203 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.78 -35.08 74.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.855 0.462 . . . . 0.0 111.335 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.42 -50.25 64.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.73 1.212 . . . . 0.0 111.382 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.37 -22.78 62.73 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.61 -45.56 29.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.587 0.755 . . . . 0.0 112.272 172.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -25.54 62.4 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.996 -1.065 . . . . 0.0 112.208 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.67 -28.0 63.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.687 1.595 . . . . 0.0 112.422 169.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.39 -36.65 71.48 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.315 -0.866 . . . . 0.0 113.019 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -84.01 -28.02 27.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 112.825 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -141.51 106.75 4.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.186 . . . . 0.0 111.043 -172.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -85.39 -7.05 59.15 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -152.72 64.44 5.36 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 124.876 1.27 . . . . 0.0 112.216 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -67.49 151.95 79.25 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.78 2.32 . . . . 0.0 112.795 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -114.01 178.07 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.121 2.168 . . . . 0.0 110.609 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.9 ptm -51.39 -27.92 11.3 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.75 -1.219 . . . . 0.0 114.026 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -85.07 -43.85 13.54 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.767 0.827 . . . . 0.0 112.208 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.7 -33.62 40.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.954 0.902 . . . . 0.0 113.205 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.3 mtm-85 -60.02 -45.41 92.9 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.094 -1.004 . . . . 0.0 111.972 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.48 -42.99 99.62 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.032 -0.417 . . . . 0.0 111.643 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.04 -34.34 63.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -32.81 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.173 0.897 . . . . 0.0 111.807 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.56 68.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.442 1.097 . . . . 0.0 112.72 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -60.94 -31.28 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 127.325 2.25 . . . . 0.0 114.198 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -115.88 6.12 14.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.901 1.281 . . . . 0.0 113.522 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -113.85 5.74 16.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.705 1.202 . . . . 0.0 113.497 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.2 t30 57.92 40.31 25.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.334 1.454 . . . . 0.0 113.521 -175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -115.66 179.25 4.03 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.855 1.662 . . . . 0.0 111.271 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -126.57 161.54 27.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.085 1.354 . . . . 0.0 108.951 167.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -28.2 66.95 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.045 -1.034 . . . . 0.0 113.319 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.2 85.27 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.625 1.17 . . . . 0.0 112.688 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -60.72 -45.4 94.38 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.187 -0.946 . . . . 0.0 110.312 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -65.26 -43.37 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.362 0.665 . . . . 0.0 110.676 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -57.6 -46.08 84.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.89 1.276 . . . . 0.0 111.435 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.07 -46.01 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.42 1.088 . . . . 0.0 111.446 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -63.67 -48.49 76.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.541 0.61 . . . . 0.0 111.773 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -69.68 -22.9 63.39 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -73.47 -41.99 62.46 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.259 0.936 . . . . 0.0 111.321 169.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 . . . . . 0 CA--C 1.542 0.645 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.347 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -97.28 158.16 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.197 0.999 . . . . 0.0 111.392 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.5 m -61.83 -8.4 4.84 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.45 -41.26 7.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.331 1.452 . . . . 0.0 112.422 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.21 0.913 . . . . 0.0 111.6 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.35 -32.08 64.36 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.01 1.324 . . . . 0.0 112.993 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -69.58 -41.11 76.23 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.614 0.766 . . . . 0.0 111.436 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.34 -32.6 66.64 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.241 0.616 . . . . 0.0 111.684 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.24 -52.06 51.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.32 1.048 . . . . 0.0 111.249 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.87 -22.82 62.25 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 -44.18 30.74 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.123 0.874 . . . . 0.0 112.134 172.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.412 HG21 HG21 ' P' ' 34' ' ' ILE . 0.7 OUTLIER -73.69 -24.85 60.01 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.127 -0.983 . . . . 0.0 112.513 178.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -54.45 -32.73 58.19 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.379 1.472 . . . . 0.0 111.565 168.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.38 -37.84 80.79 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -85.62 -27.3 25.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.212 1.005 . . . . 0.0 113.196 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -143.34 100.75 3.68 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.287 1.435 . . . . 0.0 110.023 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.02 -13.38 59.82 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.428 0.691 . . . . 0.0 112.72 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -148.69 66.58 9.04 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.09 1.356 . . . . 0.0 111.957 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -65.59 156.38 64.01 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.223 2.616 . . . . 0.0 112.577 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -115.22 175.63 5.42 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.15 2.18 . . . . 0.0 110.457 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.37 -29.96 7.01 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -82.96 -43.45 16.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.578 0.751 . . . . 0.0 112.572 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -34.54 52.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.958 0.903 . . . . 0.0 112.718 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.98 -47.01 81.78 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.827 1.251 . . . . 0.0 111.069 169.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.02 -41.12 97.54 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 122.115 -0.366 . . . . 0.0 111.222 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -30.48 63.6 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.412 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -88.81 -32.59 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.965 1.257 . . . . 0.0 112.01 172.558 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.4 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.513 1.125 . . . . 0.0 112.927 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.54 -32.94 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.656 2.382 . . . . 0.0 113.988 -173.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.16 6.75 15.17 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.819 1.248 . . . . 0.0 113.377 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 74.6 p -116.3 5.27 13.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.926 1.291 . . . . 0.0 113.157 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.51 42.07 21.55 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.503 1.521 . . . . 0.0 113.324 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -116.01 -176.37 2.93 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.07 1.748 . . . . 0.0 111.369 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -133.33 166.18 23.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.551 1.54 . . . . 0.0 110.04 169.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -35.4 64.15 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.138 -0.977 . . . . 0.0 112.759 -173.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.82 81.77 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.735 1.214 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -63.05 -43.6 98.19 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.329 -0.857 . . . . 0.0 111.107 173.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.9 t -67.2 -43.98 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.476 -0.297 . . . . 0.0 110.66 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -54.82 -49.7 70.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.492 1.117 . . . . 0.0 111.561 173.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -43.76 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.97 1.308 . . . . 0.0 111.518 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -65.3 -47.44 76.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.93 0.786 . . . . 0.0 111.913 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -66.85 -25.27 66.34 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -74.3 -44.07 54.17 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.077 0.951 . . . . 0.0 111.934 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 . . . . . 0 CA--C 1.542 0.666 0 C-N-CA 123.399 0.68 . . . . 0.0 112.804 175.226 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 120.834 0.35 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -94.26 157.79 15.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 0.0 111.46 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -61.67 -8.28 4.39 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -98.25 -42.35 7.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.292 1.437 . . . . 0.0 112.404 172.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.11 -43.67 91.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.189 0.904 . . . . 0.0 111.393 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.76 -31.52 62.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.245 1.418 . . . . 0.0 113.3 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -71.02 -42.47 69.53 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.291 0.637 . . . . 0.0 111.33 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -70.4 -34.3 72.37 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.147 0.579 . . . . 0.0 111.645 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.45 -51.09 62.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.537 1.135 . . . . 0.0 111.7 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -74.04 -19.98 60.45 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.23 -47.81 26.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.757 0.823 . . . . 0.0 112.167 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.442 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -69.66 -25.45 63.91 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.915 -1.116 . . . . 0.0 112.48 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.32 -25.39 61.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.635 1.574 . . . . 0.0 112.577 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -75.52 -38.63 59.26 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.384 -0.823 . . . . 0.0 113.05 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -82.99 -27.41 30.44 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.682 0.793 . . . . 0.0 112.834 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -139.76 104.52 4.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.744 1.218 . . . . 0.0 110.236 -174.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -85.47 -7.43 58.92 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -152.21 65.13 5.96 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.362 1.465 . . . . 0.0 111.71 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -67.85 155.35 70.16 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.641 2.228 . . . . 0.0 112.915 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -116.65 179.3 4.05 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.667 1.987 . . . . 0.0 110.693 -171.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.9 ptm -50.5 -31.46 15.46 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.56 -1.338 . . . . 0.0 113.744 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.6 m -82.84 -43.83 16.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.673 0.789 . . . . 0.0 111.822 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.84 34.09 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -59.47 -44.57 93.0 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.539 1.063 . . . . 0.0 111.843 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.52 -42.21 98.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.265 0.484 . . . . 0.0 111.723 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.15 -37.34 64.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.846 0.748 . . . . 0.0 112.851 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.442 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -85.0 -32.66 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.238 0.926 . . . . 0.0 111.824 177.118 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.92 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.395 1.078 . . . . 0.0 112.798 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.13 -30.89 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 127.266 2.226 . . . . 0.0 114.104 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -116.71 7.29 13.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.983 1.313 . . . . 0.0 113.52 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -115.0 6.51 15.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.683 1.193 . . . . 0.0 113.267 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.83 39.47 23.96 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.479 1.512 . . . . 0.0 113.167 -177.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.7 -178.79 3.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.071 1.749 . . . . 0.0 111.273 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -129.88 164.78 23.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.328 1.451 . . . . 0.0 109.91 168.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 -29.17 65.56 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.894 -1.128 . . . . 0.0 113.802 -173.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.11 78.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.435 1.094 . . . . 0.0 112.098 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -58.32 -43.99 88.43 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 0.0 111.119 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.01 -46.24 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 122.894 0.478 . . . . 0.0 110.644 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -60.32 -44.6 95.32 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.832 0.742 . . . . 0.0 112.301 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.74 -44.07 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.126 0.97 . . . . 0.0 111.585 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -64.82 -48.28 74.97 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.86 -0.525 . . . . 0.0 111.767 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -62.61 -33.53 75.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.759 0.823 . . . . 0.0 112.323 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.51 -48.26 73.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.645 0.778 . . . . 0.0 111.174 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 122.823 0.449 . . . . 0.0 111.606 174.442 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -98.3 158.27 15.67 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.219 1.008 . . . . 0.0 111.365 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -61.78 -9.44 6.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -97.46 -41.33 8.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.284 1.434 . . . . 0.0 112.472 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -59.95 -43.2 95.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.155 0.889 . . . . 0.0 111.571 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.8 mt -55.99 -31.36 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.093 1.357 . . . . 0.0 113.133 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -70.84 -42.44 70.17 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.389 0.675 . . . . 0.0 111.433 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.66 -34.46 72.05 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.094 0.558 . . . . 0.0 111.641 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.91 -51.87 59.57 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.488 1.115 . . . . 0.0 111.536 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.47 -23.43 61.04 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -46.24 32.61 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.83 0.741 . . . . 0.0 112.117 173.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.403 HG21 HG21 ' P' ' 34' ' ' ILE . 1.2 t -69.93 -27.98 65.21 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.238 -0.914 . . . . 0.0 112.176 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.11 -27.08 63.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.48 1.512 . . . . 0.0 112.976 170.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.15 -39.37 65.73 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.173 -0.955 . . . . 0.0 113.038 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -86.82 -23.96 25.15 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.416 1.086 . . . . 0.0 113.541 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -137.33 103.69 5.16 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.972 1.309 . . . . 0.0 110.135 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -80.2 -13.05 59.55 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.04 64.57 7.57 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 125.069 1.348 . . . . 0.0 113.033 -174.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.03 169.17 15.54 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.69 2.26 . . . . 0.0 112.155 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -140.31 -173.3 3.63 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.56 1.544 . . . . 0.0 110.724 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -48.87 -29.58 4.83 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -81.71 -34.76 30.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.76 0.709 . . . . 0.0 112.88 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.36 -34.79 14.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.689 1.196 . . . . 0.0 113.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -62.15 -43.01 99.78 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.807 1.643 . . . . 0.0 111.89 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -63.4 -42.94 98.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.446 0.566 . . . . 0.0 111.004 171.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.1 -31.89 65.74 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.403 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -86.04 -32.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 120.118 1.327 . . . . 0.0 112.261 172.425 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.75 -28.81 64.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.27 -33.31 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.868 2.467 . . . . 0.0 114.01 -173.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -114.94 7.14 15.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.804 1.241 . . . . 0.0 113.329 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -115.56 6.21 14.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.828 1.251 . . . . 0.0 113.233 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 58.25 40.95 24.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.589 1.556 . . . . 0.0 113.798 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.95 -177.92 3.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.12 1.768 . . . . 0.0 111.564 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -130.55 163.42 27.12 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.535 1.534 . . . . 0.0 109.375 167.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -32.38 68.3 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.966 -1.084 . . . . 0.0 113.192 -170.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.05 89.27 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.561 1.144 . . . . 0.0 112.344 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -61.0 -44.78 96.93 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.411 -0.806 . . . . 0.0 110.924 172.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.99 -42.31 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.133 0.573 . . . . 0.0 110.548 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -62.41 -44.85 95.45 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.637 1.175 . . . . 0.0 112.225 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.3 t -62.83 -44.26 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.784 1.234 . . . . 0.0 111.56 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -64.51 -48.64 74.38 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.463 0.574 . . . . 0.0 111.852 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.09 -33.52 76.23 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.955 0.502 . . . . 0.0 111.662 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -67.06 -38.7 86.26 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 111.858 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 . . . . . 0 CA--C 1.539 0.546 0 C-N-CA 122.536 0.335 . . . . 0.0 111.9 169.771 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 120.984 0.421 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -93.27 157.54 16.2 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.392 0.677 . . . . 0.0 111.111 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -62.56 -7.62 4.99 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -98.81 -41.7 7.52 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.256 1.422 . . . . 0.0 112.4 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -58.88 -44.1 91.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.304 0.956 . . . . 0.0 111.27 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -31.87 62.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.122 1.369 . . . . 0.0 113.337 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -71.72 -41.96 67.91 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.387 0.675 . . . . 0.0 111.436 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -70.36 -34.3 72.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.048 0.539 . . . . 0.0 111.555 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.5 mt -65.12 -51.89 58.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.45 1.1 . . . . 0.0 111.562 173.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.38 -20.69 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.39 -47.81 25.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.661 0.784 . . . . 0.0 112.024 170.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.039 -1.038 . . . . 0.0 112.327 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -58.02 -28.42 64.45 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.887 1.675 . . . . 0.0 112.905 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -72.31 -38.89 68.59 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.391 -0.818 . . . . 0.0 112.95 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -86.77 -25.59 24.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.463 1.105 . . . . 0.0 113.312 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -138.43 101.63 4.42 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.145 1.378 . . . . 0.0 109.845 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.3 -12.56 59.94 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 -176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -150.32 65.67 7.36 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.089 1.356 . . . . 0.0 112.033 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.68 152.07 82.75 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.055 2.503 . . . . 0.0 112.497 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -109.06 175.83 5.31 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.82 2.048 . . . . 0.0 110.046 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.7 ptm -49.63 -35.45 21.18 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.976 1.262 . . . . 0.0 113.006 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.3 m -75.88 -42.09 50.21 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.677 -0.64 . . . . 0.0 112.483 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.27 -34.29 37.12 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.827 0.851 . . . . 0.0 112.903 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -60.67 -44.74 96.12 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.558 1.143 . . . . 0.0 111.756 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.12 -43.57 98.68 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.245 0.475 . . . . 0.0 111.332 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.96 -30.58 66.11 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -32.23 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.895 1.225 . . . . 0.0 112.062 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.38 -29.57 66.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.491 1.116 . . . . 0.0 112.915 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.65 -32.27 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.831 2.452 . . . . 0.0 113.956 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -115.68 7.13 14.64 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.986 1.314 . . . . 0.0 113.435 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -115.45 6.42 14.75 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.667 1.187 . . . . 0.0 113.231 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.61 40.61 23.35 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.321 1.449 . . . . 0.0 113.018 -176.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -117.47 -179.09 3.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.163 1.785 . . . . 0.0 111.33 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -128.69 161.88 28.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.522 1.529 . . . . 0.0 109.257 167.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -27.64 67.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.547 -1.346 . . . . 0.0 113.57 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.18 91.07 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.259 1.024 . . . . 0.0 112.504 174.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -59.4 -45.62 91.0 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.407 -0.808 . . . . 0.0 110.893 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.9 -44.06 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.255 0.622 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -58.28 -47.28 84.15 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.637 1.175 . . . . 0.0 111.578 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.6 -46.57 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.002 1.321 . . . . 0.0 111.355 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -62.9 -47.58 82.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.931 0.492 . . . . 0.0 111.884 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.7 -32.41 73.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.276 0.63 . . . . 0.0 112.275 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -65.68 -44.97 84.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.512 0.725 . . . . 0.0 111.364 173.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 122.636 0.374 . . . . 0.0 111.817 175.234 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -99.18 158.34 15.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.322 1.049 . . . . 0.0 111.454 175.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -61.86 -9.97 8.11 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -95.81 -41.17 8.97 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.474 . . . . 0.0 112.48 172.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.9 -42.06 98.63 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.206 0.912 . . . . 0.0 111.552 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 mt -56.17 -31.68 63.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.105 1.362 . . . . 0.0 112.932 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -69.14 -41.78 76.86 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.696 0.798 . . . . 0.0 111.554 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -72.57 -34.05 67.2 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.989 0.515 . . . . 0.0 111.559 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.64 -51.2 63.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.335 1.054 . . . . 0.0 111.276 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.63 -29.4 67.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -38.29 59.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.131 0.878 . . . . 0.0 112.867 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . 0.428 HG21 HG21 ' P' ' 34' ' ' ILE . 1.2 t -78.65 -24.39 45.23 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.556 -0.715 . . . . 0.0 112.344 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.05 -27.36 68.84 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.429 1.092 . . . . 0.0 112.599 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -70.24 -39.54 74.99 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.207 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -91.01 -22.01 20.99 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.489 1.115 . . . . 0.0 113.926 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -135.51 103.67 5.55 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.719 1.208 . . . . 0.0 110.029 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -81.9 -9.44 59.59 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -151.32 64.3 6.02 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.889 1.276 . . . . 0.0 112.553 -172.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -66.61 152.97 79.61 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.993 2.462 . . . . 0.0 112.408 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -114.7 178.33 4.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.344 2.257 . . . . 0.0 110.523 -173.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.0 ptm -51.58 -28.06 12.92 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.624 -1.298 . . . . 0.0 114.043 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -44.5 14.0 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.739 0.816 . . . . 0.0 112.161 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.45 -34.24 41.73 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.144 0.978 . . . . 0.0 113.27 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 81.2 mtm-85 -58.78 -46.1 88.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.159 0.983 . . . . 0.0 111.717 169.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.9 -43.2 98.84 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.004 -0.435 . . . . 0.0 111.419 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.66 -32.18 67.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . 0.428 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -85.33 -32.82 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.908 1.231 . . . . 0.0 111.925 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -29.9 67.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.54 1.136 . . . . 0.0 112.883 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.4 -32.93 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.867 2.467 . . . . 0.0 113.944 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -115.01 7.12 15.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.908 1.283 . . . . 0.0 113.461 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -115.41 5.94 14.67 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.147 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 57.86 40.85 25.58 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.649 1.58 . . . . 0.0 113.653 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -117.04 179.74 3.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.975 1.71 . . . . 0.0 111.589 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -126.22 163.55 22.92 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.127 1.371 . . . . 0.0 109.591 168.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -29.67 69.08 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.87 -1.144 . . . . 0.0 113.249 -171.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.97 70.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.973 1.309 . . . . 0.0 113.217 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -70.22 -38.42 75.25 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.055 0.843 . . . . 0.0 111.179 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 t -67.62 -47.36 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 174.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.66 -50.0 69.24 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.344 . . . . 0.0 111.623 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -70.37 -36.67 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.083 0.553 . . . . 0.0 112.232 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -65.04 -48.29 74.39 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.602 0.637 . . . . 0.0 111.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.03 -31.24 72.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.872 0.869 . . . . 0.0 112.357 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -69.76 -41.22 75.47 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.389 1.076 . . . . 0.0 111.855 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 173.377 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 112.029 -0.429 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 8.5 t -149.41 168.6 22.96 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.267 1.427 . . . . 0.0 111.554 178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -73.23 143.47 47.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.416 1.086 . . . . 0.0 111.688 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -80.05 -17.2 53.35 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.438 1.095 . . . . 0.0 113.893 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -135.67 153.83 51.49 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.711 2.005 . . . . 0.0 110.929 177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -79.81 82.68 5.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.285 1.034 . . . . 0.0 110.371 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -134.34 147.48 50.56 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.032 1.733 . . . . 0.0 111.49 -176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -85.32 51.35 2.16 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 125.103 1.361 . . . . 0.0 111.333 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 57.7 m80 58.96 -7.57 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.189 2.596 . . . . 0.0 116.662 -169.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -141.44 166.35 24.99 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.284 1.833 . . . . 0.0 111.993 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.8 p -107.01 160.62 15.4 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.176 1.391 . . . . 0.0 111.444 169.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.0 m -60.44 -11.66 7.43 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -95.8 -41.53 8.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.244 1.418 . . . . 0.0 112.548 173.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.91 -40.83 94.63 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.252 -0.905 . . . . 0.0 111.704 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -57.64 -30.06 65.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.954 1.302 . . . . 0.0 113.138 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -71.51 -41.18 69.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.427 0.691 . . . . 0.0 111.461 177.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -70.88 -33.09 70.24 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.049 0.539 . . . . 0.0 111.924 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.88 -51.32 62.65 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.336 1.055 . . . . 0.0 111.592 172.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -73.45 -20.06 60.8 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.02 -47.1 30.72 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.617 0.767 . . . . 0.0 111.935 169.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.436 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -71.23 -23.39 61.99 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.931 -1.106 . . . . 0.0 112.682 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -58.92 -23.53 61.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.523 1.529 . . . . 0.0 112.624 169.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -77.68 -38.43 47.53 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.296 -0.877 . . . . 0.0 113.013 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -83.2 -25.65 31.58 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.794 1.238 . . . . 0.0 113.021 176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -140.55 107.64 5.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.886 1.274 . . . . 0.0 110.361 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -87.64 -6.97 58.02 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.615 0.766 . . . . 0.0 112.975 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -153.24 65.2 5.44 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.219 1.408 . . . . 0.0 111.987 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -67.73 154.83 72.18 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 122.446 2.098 . . . . 0.0 112.565 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -118.36 177.15 4.92 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.468 2.307 . . . . 0.0 110.185 -176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.6 ptm -48.08 -32.91 7.36 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.636 -1.29 . . . . 0.0 113.886 179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 35.5 m -80.07 -42.0 24.54 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.322 0.649 . . . . 0.0 112.332 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -33.73 28.88 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.025 0.93 . . . . 0.0 113.104 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -57.32 -44.77 84.46 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.058 -1.026 . . . . 0.0 111.16 169.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.34 -42.39 92.92 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.243 0.474 . . . . 0.0 112.075 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -51.58 -40.92 60.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.805 0.842 . . . . 0.0 112.895 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.436 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -82.25 -32.58 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 118.968 0.804 . . . . 0.0 111.469 178.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.1 -28.21 64.16 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.395 1.078 . . . . 0.0 112.83 -177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.28 -31.57 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 127.194 2.197 . . . . 0.0 114.121 -172.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.2 p-90 -115.7 5.78 14.32 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.854 1.262 . . . . 0.0 113.495 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.0 p -114.08 3.86 15.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 113.182 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.1 t30 57.55 44.04 21.68 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.638 1.575 . . . . 0.0 113.639 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -117.24 -176.92 3.1 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.314 1.846 . . . . 0.0 111.243 174.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -130.5 162.25 29.65 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.976 1.311 . . . . 0.0 109.694 168.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -57.53 -29.99 64.8 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.69 -40.36 88.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.019 0.928 . . . . 0.0 112.29 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -59.31 -46.46 88.52 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.887 0.875 . . . . 0.0 110.313 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.8 t -63.32 -45.44 98.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.011 0.525 . . . . 0.0 110.936 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -58.86 -46.53 87.55 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.874 0.869 . . . . 0.0 112.119 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.9 t -62.85 -43.78 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 125.017 1.327 . . . . 0.0 111.31 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 67.4 t90 -64.13 -49.51 71.89 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 122.794 0.438 . . . . 0.0 111.814 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -63.59 -32.97 74.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.682 0.793 . . . . 0.0 112.402 178.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -65.33 -48.7 72.11 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.638 0.775 . . . . 0.0 111.195 174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -64.53 -38.59 91.55 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 122.942 0.497 . . . . 0.0 111.584 175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -68.22 -38.23 81.67 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 118.243 -0.884 . . . . 0.0 112.661 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 47.5 mtt-85 -62.39 -42.2 99.24 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.23 0.923 . . . . 0.0 112.187 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.42 -32.59 74.07 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -82.36 -34.33 28.47 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.072 1.349 . . . . 0.0 113.134 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.36 -42.07 73.43 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.738 1.615 . . . . 0.0 110.938 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -63.49 -23.4 67.38 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -85.88 -31.24 22.32 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.596 1.158 . . . . 0.0 112.361 172.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -91.31 -24.19 19.9 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.344 1.858 . . . . 0.0 113.694 -174.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 50.31 46.59 24.88 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.943 2.497 . . . . 0.0 112.688 -172.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -58.16 -37.88 75.53 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.843 1.257 . . . . 0.0 113.415 -173.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -131.61 137.56 48.45 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.394 1.878 . . . . 0.0 110.248 170.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.6 mm -142.43 139.04 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 127.331 2.252 . . . . 0.0 107.724 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.28 124.33 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.367 0.667 . . . . 0.0 110.053 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -100.78 -8.0 23.12 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.212 1.189 . . . . 0.0 114.212 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.962 1.705 . . . . 0.0 113.812 177.663 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 34.0 m -68.11 143.32 55.49 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.279 1.032 . . . . 0.0 113.114 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -75.23 150.38 38.63 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.546 1.139 . . . . 0.0 111.763 177.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -104.22 -7.47 20.07 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -71.58 161.33 31.18 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.708 1.603 . . . . 0.0 112.673 175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -132.34 99.16 4.59 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.321 1.448 . . . . 0.0 109.567 173.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 40.2 ptt180 -79.92 -20.34 45.96 Favored 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -175.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 10.7 m -91.94 134.72 34.54 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.857 1.263 . . . . 0.0 111.231 -174.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -91.59 -3.98 55.83 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -174.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -134.48 165.1 25.97 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 126.575 1.95 . . . . 0.0 111.786 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.3 p -100.57 158.96 15.54 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.448 1.099 . . . . 0.0 111.237 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.6 m -61.23 -11.44 9.44 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -96.21 -40.76 9.02 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.271 1.428 . . . . 0.0 112.519 173.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.58 -42.27 96.37 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.271 -0.893 . . . . 0.0 111.654 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -55.8 -31.71 62.89 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.965 1.306 . . . . 0.0 113.197 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -69.49 -40.4 77.07 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.52 0.728 . . . . 0.0 111.55 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -73.02 -31.0 64.17 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.354 0.661 . . . . 0.0 111.835 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt -67.46 -51.08 55.75 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.389 1.076 . . . . 0.0 111.573 173.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.76 -23.88 63.44 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.24 -47.42 35.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.118 0.872 . . . . 0.0 112.222 172.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.417 HG21 HG21 ' P' ' 34' ' ' ILE . 1.9 t -70.91 -25.41 62.75 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.012 -1.055 . . . . 0.0 112.565 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -57.46 -29.44 64.21 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.307 1.443 . . . . 0.0 111.952 170.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -71.97 -39.51 69.29 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.431 -0.793 . . . . 0.0 113.088 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -82.69 -27.2 31.4 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.554 0.742 . . . . 0.0 112.812 177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.1 t-20 -138.63 101.05 4.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.658 1.183 . . . . 0.0 110.489 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -84.26 -4.98 59.19 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.948 0.899 . . . . 0.0 112.898 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -152.26 63.99 5.38 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.701 1.6 . . . . 0.0 112.078 -174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.67 156.27 66.06 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 122.558 2.172 . . . . 0.0 112.354 -177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -119.66 176.75 5.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 127.09 2.156 . . . . 0.0 110.433 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.0 ptm -49.68 -31.27 10.72 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.804 -1.185 . . . . 0.0 113.92 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.2 m -81.35 -42.6 20.27 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.512 0.725 . . . . 0.0 112.297 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.92 34.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 -178.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.3 -46.01 79.99 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.363 0.983 . . . . 0.0 111.449 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.46 -40.6 89.49 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 119.058 -0.496 . . . . 0.0 112.181 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -52.15 -39.22 59.67 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.129 0.877 . . . . 0.0 112.868 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.417 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -83.21 -31.68 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.215 0.916 . . . . 0.0 111.812 178.012 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.33 -27.99 62.78 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.387 1.075 . . . . 0.0 112.939 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.79 -31.4 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 127.25 2.22 . . . . 0.0 114.04 -171.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 33.8 p-90 -115.59 6.26 14.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.953 1.301 . . . . 0.0 113.618 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.3 p -114.75 5.05 15.16 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.6 1.16 . . . . 0.0 113.317 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 49.0 t30 57.42 42.76 24.2 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.446 1.498 . . . . 0.0 113.472 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.2 mt -116.09 -178.04 3.31 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.16 1.784 . . . . 0.0 111.033 174.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -131.39 167.81 18.65 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.446 1.498 . . . . 0.0 109.881 168.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.21 -41.94 50.6 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.559 1.072 . . . . 0.0 112.062 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.83 92.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.243 0.617 . . . . 0.0 112.082 -175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.8 mmt-85 -58.34 -47.99 81.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.724 0.81 . . . . 0.0 111.314 171.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.63 -45.06 89.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 122.749 0.42 . . . . 0.0 110.965 -178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -57.98 -46.46 85.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.68 1.192 . . . . 0.0 111.312 175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 39.8 t -62.27 -44.52 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.869 1.268 . . . . 0.0 111.712 175.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.3 t90 -65.74 -44.92 84.48 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 118.786 0.721 . . . . 0.0 112.649 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -69.23 -33.04 72.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.499 1.119 . . . . 0.0 111.986 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -67.08 -44.92 78.83 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.951 -1.093 . . . . 0.0 111.241 174.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -60.91 -33.77 73.65 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.237 0.615 . . . . 0.0 111.777 171.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.77 -43.68 92.48 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.266 -0.896 . . . . 0.0 113.245 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -37.52 84.7 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.903 0.881 . . . . 0.0 111.246 173.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.52 72.32 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -80.28 -36.8 33.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.409 1.484 . . . . 0.0 113.038 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -55.91 -45.5 78.65 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.062 1.345 . . . . 0.0 112.153 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -60.98 -20.65 62.67 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -174.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -71.49 -18.96 62.26 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.634 1.174 . . . . 0.0 113.545 174.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 81.9 mmt-85 -130.19 -17.91 3.37 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.307 1.443 . . . . 0.0 114.559 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 54.88 43.41 30.0 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.776 1.631 . . . . 0.0 112.859 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.88 -38.09 84.44 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.36 1.064 . . . . 0.0 112.737 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -99.93 149.4 23.47 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.645 1.578 . . . . 0.0 110.268 168.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 mm -128.72 131.66 68.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.434 1.494 . . . . 0.0 109.395 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 49.4 t -81.86 127.41 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.36 1.064 . . . . 0.0 110.071 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 53.8 p -118.21 -13.09 9.9 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -175.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.329 1.852 . . . . 0.0 112.779 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 26.6 m 55.74 27.56 10.91 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.887 1.675 . . . . 0.0 115.479 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -139.59 155.79 47.25 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.999 1.719 . . . . 0.0 111.328 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -70.16 145.17 51.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.675 1.19 . . . . 0.0 111.502 176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -65.09 153.41 40.88 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.742 1.217 . . . . 0.0 112.137 176.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -134.16 113.6 12.21 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.22 1.408 . . . . 0.0 109.754 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -102.51 173.28 6.42 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.769 1.628 . . . . 0.0 113.262 177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m 67.47 146.73 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.365 2.266 . . . . 0.0 113.886 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -81.68 0.26 39.53 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -176.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -140.7 162.52 35.19 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.288 1.435 . . . . 0.0 112.533 -176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -103.02 160.16 14.87 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.106 1.362 . . . . 0.0 111.178 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.2 m -61.01 -11.53 8.52 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 175.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -95.35 -41.58 8.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.228 1.411 . . . . 0.0 112.48 173.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -61.25 -41.49 96.99 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.238 -0.914 . . . . 0.0 111.747 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 65.3 mt -56.66 -30.49 63.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.068 1.347 . . . . 0.0 113.173 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -70.61 -42.0 71.54 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.471 0.709 . . . . 0.0 111.417 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -70.83 -34.14 71.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.235 0.614 . . . . 0.0 111.74 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.97 -51.42 61.83 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.285 1.034 . . . . 0.0 111.298 173.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -74.18 -20.32 60.25 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 114.779 1.399 . . . . 0.0 114.779 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -46.85 29.35 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.7 0.682 . . . . 0.0 112.132 170.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -70.85 -26.72 63.39 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.119 -0.988 . . . . 0.0 112.292 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -56.56 -28.77 60.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.461 1.504 . . . . 0.0 112.768 169.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -71.6 -38.3 70.88 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.357 -0.839 . . . . 0.0 113.063 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -88.69 -23.39 23.0 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.679 1.192 . . . . 0.0 113.743 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -138.95 101.02 4.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.143 1.377 . . . . 0.0 109.919 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -80.23 -10.93 59.77 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -150.54 65.71 7.23 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.23 1.412 . . . . 0.0 111.968 -172.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -66.49 156.94 63.03 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.017 2.478 . . . . 0.0 112.443 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -118.02 176.65 5.11 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 127.259 2.224 . . . . 0.0 110.539 -174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.1 ptm -49.4 -31.56 9.83 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.718 -1.239 . . . . 0.0 114.042 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.8 m -80.9 -43.58 19.64 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.459 0.703 . . . . 0.0 112.13 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.16 -35.52 41.83 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.928 0.891 . . . . 0.0 112.973 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.7 mtt180 -56.19 -47.47 78.28 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.439 1.096 . . . . 0.0 111.612 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -65.2 -41.27 94.68 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 122.041 -0.412 . . . . 0.0 111.708 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.33 -32.17 64.42 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.33 -32.52 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 120.002 1.274 . . . . 0.0 111.979 172.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.93 65.02 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.468 1.107 . . . . 0.0 112.879 -176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.42 -34.05 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 127.824 2.45 . . . . 0.0 114.041 -173.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -114.08 6.15 16.28 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.727 1.211 . . . . 0.0 113.412 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.3 p -114.45 4.57 15.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.748 1.219 . . . . 0.0 113.113 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.13 42.56 22.05 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.495 1.518 . . . . 0.0 113.078 -176.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -116.77 -177.91 3.3 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.31 1.844 . . . . 0.0 111.252 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.5 t -130.94 167.2 19.39 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.343 1.457 . . . . 0.0 109.562 168.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -50.12 -42.04 49.81 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.115 0.871 . . . . 0.0 111.961 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.51 91.43 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.1 0.56 . . . . 0.0 112.027 -174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -61.02 -46.95 88.68 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.995 0.918 . . . . 0.0 110.817 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.3 t -65.91 -44.75 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.021 0.373 . . . . 0.0 111.274 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -58.55 -46.37 87.02 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.764 1.226 . . . . 0.0 111.327 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.1 -44.21 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.678 1.191 . . . . 0.0 111.647 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.5 t90 -64.07 -49.08 73.69 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.48 0.582 . . . . 0.0 111.827 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -66.1 -32.08 73.32 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.243 0.617 . . . . 0.0 112.108 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -66.75 -39.48 87.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.022 0.929 . . . . 0.0 111.99 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -68.96 -43.0 75.89 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.006 -0.434 . . . . 0.0 111.986 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -63.6 -40.63 97.43 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.205 -0.934 . . . . 0.0 112.644 -176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -69.67 -32.07 70.49 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.751 0.705 . . . . 0.0 112.626 175.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.54 -31.64 68.77 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 173.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -79.58 -38.04 34.94 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.884 1.273 . . . . 0.0 113.112 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -54.58 -44.45 73.01 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.071 1.348 . . . . 0.0 112.024 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -60.8 -21.64 63.32 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.23 -23.24 57.53 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.295 1.038 . . . . 0.0 112.96 173.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -114.6 -22.44 9.77 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.872 1.669 . . . . 0.0 113.933 -174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 54.55 40.75 32.06 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 126.36 1.864 . . . . 0.0 113.223 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.47 -41.47 93.31 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.532 0.733 . . . . 0.0 112.475 -175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -97.88 144.5 27.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.51 1.524 . . . . 0.0 109.766 168.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 56.6 mt -136.41 140.58 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.784 1.234 . . . . 0.0 110.539 -173.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 45.6 t -122.67 132.57 70.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.726 1.61 . . . . 0.0 109.42 171.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 52.3 p -108.59 -8.37 15.49 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.867 1.267 . . . . 0.0 114.358 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.98 1.712 . . . . 0.0 113.83 177.816 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 46.7 t -149.92 149.43 30.41 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.966 1.306 . . . . 0.0 112.05 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -75.61 -16.57 60.21 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.329 1.052 . . . . 0.0 112.847 170.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 61.61 -46.81 0.14 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 129.704 3.202 . . . . 0.0 117.137 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 61.83 164.64 0.09 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 128.423 2.689 . . . . 0.0 114.175 -171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -75.77 -32.57 59.99 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -172.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 61.58 -25.94 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 129.026 2.93 . . . . 0.0 117.015 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 56.3 m -131.92 137.29 47.92 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.545 1.938 . . . . 0.0 109.881 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -112.67 3.59 16.69 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.022 1.49 . . . . 0.0 115.022 -169.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -139.58 164.5 29.73 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.899 1.28 . . . . 0.0 112.613 -178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -104.4 160.3 15.02 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.052 1.341 . . . . 0.0 111.135 170.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.7 m -61.03 -11.81 9.56 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -95.36 -41.39 9.03 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.23 1.412 . . . . 0.0 112.482 173.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.79 -41.49 95.69 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.288 -0.882 . . . . 0.0 111.613 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.2 mt -56.96 -30.64 64.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.988 1.315 . . . . 0.0 113.188 177.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -70.76 -41.31 71.92 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.445 0.698 . . . . 0.0 111.39 178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -71.85 -32.52 67.58 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.19 0.596 . . . . 0.0 111.919 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.3 mt -65.69 -49.81 67.17 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.496 1.118 . . . . 0.0 111.296 172.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -74.45 -16.82 60.85 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.98 -47.3 21.17 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.805 0.842 . . . . 0.0 112.176 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.433 HG21 HG21 ' P' ' 34' ' ' ILE . 2.4 t -70.12 -25.18 63.37 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 120.973 -1.08 . . . . 0.0 112.365 177.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -55.89 -28.21 55.62 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.738 1.615 . . . . 0.0 112.362 169.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -72.09 -37.73 69.51 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -86.33 -26.77 24.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.864 0.866 . . . . 0.0 113.131 176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -142.33 103.96 4.35 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.012 1.325 . . . . 0.0 110.225 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -81.09 -11.47 59.49 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 p90 -151.05 66.71 7.38 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.134 1.374 . . . . 0.0 111.99 -172.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -66.93 156.34 66.69 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.127 2.551 . . . . 0.0 112.737 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -117.42 177.27 4.8 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 127.205 2.202 . . . . 0.0 110.83 -173.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.2 ptm -50.15 -28.99 8.25 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 120.628 -1.295 . . . . 0.0 114.111 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 31.8 p -80.74 -50.4 9.92 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.113 1.365 . . . . 0.0 112.702 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.38 -33.85 61.06 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.226 1.01 . . . . 0.0 113.147 -177.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -58.36 -47.17 84.68 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.243 1.017 . . . . 0.0 111.397 169.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.05 -41.99 99.62 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 121.913 -0.492 . . . . 0.0 111.323 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -53.58 -36.05 61.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.433 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -86.77 -31.88 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 119.636 1.107 . . . . 0.0 111.969 176.073 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.52 63.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.318 1.047 . . . . 0.0 112.668 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.32 -31.7 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 127.294 2.238 . . . . 0.0 114.144 -172.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -115.97 6.19 14.1 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.831 1.252 . . . . 0.0 113.479 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 76.5 p -114.83 5.23 15.12 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.717 1.207 . . . . 0.0 113.238 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.9 t30 57.88 42.91 22.36 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.595 1.558 . . . . 0.0 113.708 -176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -117.19 -178.53 3.47 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.096 1.758 . . . . 0.0 111.463 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.0 t -130.7 164.7 24.48 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.446 1.498 . . . . 0.0 109.618 168.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -31.18 67.42 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.875 -1.141 . . . . 0.0 113.104 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.54 85.11 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.479 1.112 . . . . 0.0 112.441 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 24.0 mmt85 -62.29 -44.79 95.71 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.328 -0.858 . . . . 0.0 110.421 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.39 -44.39 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 122.526 0.33 . . . . 0.0 110.885 177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -55.76 -48.24 75.62 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.949 1.3 . . . . 0.0 111.372 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 46.4 t -62.49 -43.11 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 124.749 1.22 . . . . 0.0 111.531 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -64.9 -47.44 77.77 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.058 0.845 . . . . 0.0 112.195 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.65 -24.09 64.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.567 0.747 . . . . 0.0 112.794 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -74.45 -37.24 63.32 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.472 1.109 . . . . 0.0 111.991 169.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -69.17 -38.84 78.92 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.541 -0.724 . . . . 0.0 112.38 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -64.49 -41.67 96.31 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.912 -1.117 . . . . 0.0 112.522 -178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -69.45 -32.55 71.55 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 174.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.03 -41.86 90.38 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.606 0.639 . . . . 0.0 111.513 171.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -65.78 -35.92 82.07 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.364 1.066 . . . . 0.0 111.753 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -61.35 -49.98 74.76 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 118.333 0.515 . . . . 0.0 110.958 168.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.68 -25.42 67.39 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -67.85 -26.72 66.18 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 124.122 0.969 . . . . 0.0 113.422 170.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 -108.98 -24.33 11.27 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 125.39 1.476 . . . . 0.0 114.189 -175.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 54.01 40.09 31.24 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 126.226 1.81 . . . . 0.0 113.597 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -66.82 -23.84 66.09 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.158 0.983 . . . . 0.0 113.377 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -133.73 152.88 51.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.76 2.424 . . . . 0.0 109.668 171.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 43.8 mm -122.78 132.61 70.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.847 1.259 . . . . 0.0 110.944 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 62.9 t -105.19 131.81 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.559 1.544 . . . . 0.0 109.382 172.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 51.2 p -113.73 -14.93 12.53 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -173.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.2 t70 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.193 1.797 . . . . 0.0 112.87 179.726 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 16.8 m -64.08 -13.14 45.27 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -70.2 -22.02 62.97 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.388 1.075 . . . . 0.0 112.915 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -91.52 148.28 22.4 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.037 1.335 . . . . 0.0 111.793 178.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -87.43 143.35 27.27 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.992 1.317 . . . . 0.0 111.302 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -84.31 100.87 11.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.352 0.661 . . . . 0.0 110.812 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -86.03 165.15 16.9 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.834 1.254 . . . . 0.0 111.032 169.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 25.7 m 57.44 104.55 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.356 2.262 . . . . 0.0 114.951 174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -74.54 -22.6 58.94 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -70.98 156.74 39.27 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.288 1.035 . . . . 0.0 112.596 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.0 p -96.84 158.09 15.59 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.117 0.967 . . . . 0.0 111.368 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 5.7 m -61.92 -8.67 5.4 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -97.96 -41.59 7.92 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.352 1.461 . . . . 0.0 112.399 172.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.73 -42.66 93.63 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.154 0.888 . . . . 0.0 111.523 178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 58.5 mt -57.01 -30.67 64.38 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.026 1.33 . . . . 0.0 113.216 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -71.1 -41.4 70.65 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.373 0.669 . . . . 0.0 111.314 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -71.3 -33.18 69.47 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.154 0.582 . . . . 0.0 111.861 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.0 mt -65.74 -50.13 65.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.322 1.049 . . . . 0.0 111.503 173.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -74.72 -18.44 60.5 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.68 -47.1 27.69 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.825 0.85 . . . . 0.0 112.024 169.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.445 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -70.11 -25.38 63.47 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 120.9 -1.125 . . . . 0.0 112.482 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -56.95 -27.24 60.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.498 1.519 . . . . 0.0 112.595 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -72.95 -38.73 66.65 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.459 -0.776 . . . . 0.0 113.0 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -84.38 -27.26 27.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.695 0.798 . . . . 0.0 113.015 176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -141.57 103.15 4.33 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.004 1.322 . . . . 0.0 110.125 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -80.87 -12.08 59.48 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -150.95 66.81 7.5 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 125.264 1.426 . . . . 0.0 111.79 -173.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.51 151.95 81.87 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.213 2.609 . . . . 0.0 113.417 -175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -110.93 177.42 4.67 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 126.872 2.069 . . . . 0.0 111.106 -170.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.08 -26.04 14.89 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 120.514 -1.366 . . . . 0.0 114.166 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.8 t -86.04 -46.61 10.33 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.11 0.964 . . . . 0.0 111.81 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.48 -34.49 54.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 -177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtm-85 -59.59 -45.43 91.92 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.65 1.114 . . . . 0.0 111.758 170.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.29 -43.82 98.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.57 0.348 . . . . 0.0 111.654 172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -53.98 -38.62 65.23 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.93 0.892 . . . . 0.0 112.881 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.445 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -83.69 -32.19 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 119.088 0.858 . . . . 0.0 111.688 177.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.4 -29.76 67.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.216 1.006 . . . . 0.0 112.658 -177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.23 -30.82 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.205 2.202 . . . . 0.0 114.135 -171.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.4 p-90 -116.71 7.11 13.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.007 1.323 . . . . 0.0 113.512 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 71.9 p -114.84 6.0 15.34 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.616 1.166 . . . . 0.0 113.371 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.7 t30 58.25 40.71 24.42 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.448 1.499 . . . . 0.0 113.629 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.5 mt -117.29 179.8 3.93 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.975 1.71 . . . . 0.0 111.3 175.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.21 160.88 28.14 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.817 1.247 . . . . 0.0 109.278 167.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -59.84 -28.48 67.53 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 120.846 -1.159 . . . . 0.0 113.397 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.82 89.52 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.735 174.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -60.65 -44.16 96.75 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 172.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.6 -45.19 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 122.99 0.516 . . . . 0.0 109.996 176.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -59.95 -44.16 94.57 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.086 0.955 . . . . 0.0 112.244 178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -63.55 -45.42 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.803 1.241 . . . . 0.0 111.586 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.2 t90 -63.57 -47.13 82.79 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.278 0.49 . . . . 0.0 111.571 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -65.86 -32.21 73.59 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.451 0.7 . . . . 0.0 112.599 176.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -66.79 -37.84 85.33 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.966 0.906 . . . . 0.0 111.782 174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -71.37 -43.47 66.84 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 169.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -63.25 -40.55 97.75 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.079 0.952 . . . . 0.0 112.582 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -67.02 -33.15 74.93 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.696 0.68 . . . . 0.0 112.423 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.4 76.8 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.817 -0.552 . . . . 0.0 111.257 172.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.28 -32.76 74.58 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.99 0.916 . . . . 0.0 112.332 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -64.16 -51.9 61.63 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.924 0.89 . . . . 0.0 111.049 169.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -61.33 -25.71 67.32 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -64.26 -27.25 68.92 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.402 1.081 . . . . 0.0 113.609 171.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -116.67 -22.98 8.37 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 125.352 1.461 . . . . 0.0 114.371 -173.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 55.27 39.82 31.42 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.51 1.924 . . . . 0.0 113.432 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.88 -27.93 69.2 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.686 1.195 . . . . 0.0 113.672 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -122.51 148.4 45.21 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.134 2.173 . . . . 0.0 110.013 171.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 56.4 mt -135.46 132.41 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.839 1.255 . . . . 0.0 109.754 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 61.8 t -86.91 125.47 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.656 1.182 . . . . 0.0 109.43 172.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 61.3 p -120.95 -14.26 8.48 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.741 1.385 . . . . 0.0 114.741 -171.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.834 1.654 . . . . 0.0 114.31 178.547 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 18.5 m -70.77 -30.65 67.2 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.094 0.958 . . . . 0.0 113.574 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -78.87 127.28 31.82 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.715 0.806 . . . . 0.0 109.807 170.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -101.82 2.85 38.76 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -170.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 50.0 ptt85 -64.85 150.97 46.67 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.295 1.838 . . . . 0.0 112.885 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -91.42 -23.16 20.11 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.519 1.128 . . . . 0.0 113.377 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -137.29 175.62 9.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.036 1.734 . . . . 0.0 112.036 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -59.77 134.0 56.62 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.066 1.346 . . . . 0.0 110.955 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.95 -2.82 58.77 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -173.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -116.91 156.96 26.48 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.176 1.79 . . . . 0.0 110.861 173.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.4 p -94.35 158.0 15.77 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.825 0.85 . . . . 0.0 111.681 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.5 m -63.6 -7.17 6.54 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -91.25 -44.54 9.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.219 1.007 . . . . 0.0 111.174 169.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -62.98 -45.39 92.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.861 0.864 . . . . 0.0 111.516 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.26 -32.29 66.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.948 1.299 . . . . 0.0 112.876 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -75.29 -37.39 60.9 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.667 0.618 . . . . 0.0 112.667 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -69.84 -33.65 72.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.518 0.599 . . . . 0.0 111.8 173.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.9 -51.3 57.06 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.413 1.085 . . . . 0.0 111.687 174.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.17 -23.78 63.04 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.5 -47.72 25.77 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.952 0.796 . . . . 0.0 112.189 173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.11 -27.69 65.81 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.184 -0.947 . . . . 0.0 112.088 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -57.11 -28.48 62.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.691 1.596 . . . . 0.0 112.873 170.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.4 mm-40 -71.61 -38.8 70.78 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.009 0.822 . . . . 0.0 113.035 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -89.74 -23.46 21.78 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.368 1.067 . . . . 0.0 113.733 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -138.75 101.78 4.41 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.078 1.351 . . . . 0.0 109.57 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -79.98 -12.37 59.72 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -150.24 65.78 7.48 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 125.13 1.372 . . . . 0.0 112.072 -173.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -65.68 152.43 81.71 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 123.069 2.513 . . . . 0.0 112.683 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -113.53 178.19 4.37 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 127.101 2.16 . . . . 0.0 110.794 -171.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.7 ptm -52.19 -26.55 11.84 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.562 -1.336 . . . . 0.0 114.315 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.9 t -85.27 -47.39 10.11 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.818 0.847 . . . . 0.0 111.814 177.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.14 -34.9 59.42 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.181 -0.949 . . . . 0.0 113.427 -177.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 78.4 mtm-85 -59.6 -45.6 91.41 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.367 0.985 . . . . 0.0 112.006 170.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -60.74 -44.05 97.15 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.102 0.41 . . . . 0.0 111.188 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -57.83 -31.28 66.47 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -86.66 -32.2 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.963 1.256 . . . . 0.0 112.069 172.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.02 67.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.47 1.108 . . . . 0.0 112.933 -177.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.83 -32.2 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 127.764 2.426 . . . . 0.0 113.934 -172.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -115.6 7.48 14.84 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.94 1.296 . . . . 0.0 113.461 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.55 6.67 14.69 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.682 1.193 . . . . 0.0 113.236 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.24 39.63 25.56 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.312 1.445 . . . . 0.0 113.077 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.26 -179.73 3.75 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.132 1.773 . . . . 0.0 111.342 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.9 t -127.05 162.03 26.99 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.25 1.42 . . . . 0.0 109.294 167.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.49 -28.21 68.18 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.619 -1.301 . . . . 0.0 113.438 -172.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.16 87.71 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.318 1.047 . . . . 0.0 112.532 175.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -60.3 -44.88 95.02 Favored 'General case' 0 N--CA 1.479 0.993 0 O-C-N 121.317 -0.864 . . . . 0.0 111.046 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.8 t -65.27 -44.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.091 0.556 . . . . 0.0 110.28 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -57.43 -48.25 79.62 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.587 1.155 . . . . 0.0 111.537 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.8 t -62.84 -44.81 99.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.906 1.282 . . . . 0.0 111.613 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.41 -47.08 80.49 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.391 0.541 . . . . 0.0 111.603 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -65.92 -32.68 74.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.245 0.618 . . . . 0.0 112.309 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -66.19 -41.54 90.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.014 0.926 . . . . 0.0 111.537 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -67.84 -40.96 83.65 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 122.12 -0.363 . . . . 0.0 111.951 170.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -66.49 -38.36 87.1 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.04 -1.037 . . . . 0.0 113.121 -175.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -71.17 -33.0 69.58 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.282 0.633 . . . . 0.0 112.375 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.92 -32.3 72.66 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 172.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -79.51 -37.64 36.22 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.856 1.263 . . . . 0.0 113.193 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -54.4 -44.16 72.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.848 1.259 . . . . 0.0 111.98 178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 76.8 mtp180 -61.54 -24.05 66.37 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -175.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -80.01 -28.86 39.35 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.398 1.079 . . . . 0.0 112.505 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -94.69 -30.61 14.21 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.97 1.708 . . . . 0.0 113.596 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 55.31 45.07 26.32 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.624 1.97 . . . . 0.0 113.16 -172.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -62.07 -28.41 69.59 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.287 1.435 . . . . 0.0 113.274 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -136.93 152.69 50.47 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.86 2.464 . . . . 0.0 109.898 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 42.7 mm -123.96 129.14 74.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.042 1.337 . . . . 0.0 109.989 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 49.9 t -86.67 127.39 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.419 1.087 . . . . 0.0 109.533 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 56.9 p -116.23 -12.7 11.15 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.0 t70 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.181 1.793 . . . . 0.0 112.818 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 111.645 -0.582 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 14.8 m -65.5 133.37 51.11 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.247 1.019 . . . . 0.0 112.749 -175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -66.72 -22.4 66.06 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 -74.44 -8.77 57.39 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.92 150.89 48.58 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.646 1.178 . . . . 0.0 111.963 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -135.58 107.85 7.28 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.375 1.47 . . . . 0.0 109.624 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -82.34 45.44 0.95 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.58 1.552 . . . . 0.0 113.453 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 18.2 m 65.11 136.65 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 128.106 2.562 . . . . 0.0 114.791 -177.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -93.11 -28.55 16.26 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -116.42 158.15 23.98 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.705 1.202 . . . . 0.0 112.466 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -97.19 157.93 15.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.913 0.885 . . . . 0.0 111.352 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.1 m -62.06 -8.25 5.11 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -98.22 -41.35 7.93 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.411 1.485 . . . . 0.0 112.489 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.29 -43.06 96.59 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 121.228 -0.92 . . . . 0.0 111.509 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.0 mt -55.96 -32.23 63.69 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.005 1.322 . . . . 0.0 113.2 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -68.95 -41.17 78.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.458 0.703 . . . . 0.0 111.563 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -73.17 -31.29 64.15 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.172 0.589 . . . . 0.0 111.804 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.1 mt -67.64 -49.97 60.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.365 1.066 . . . . 0.0 111.422 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.96 -24.8 63.4 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.29 -47.0 29.94 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.547 0.739 . . . . 0.0 112.323 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.445 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -70.57 -24.91 62.86 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.032 -1.042 . . . . 0.0 112.386 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -58.94 -24.83 62.92 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.079 1.352 . . . . 0.0 112.704 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -74.07 -39.1 63.7 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 121.252 -0.905 . . . . 0.0 113.001 176.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -83.6 -27.35 29.27 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.682 0.793 . . . . 0.0 112.886 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -139.05 105.62 5.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.827 1.251 . . . . 0.0 110.464 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -84.95 -8.81 58.6 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -177.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.19 65.88 6.31 Favored Pre-proline 0 CA--C 1.551 1.01 0 C-N-CA 125.035 1.334 . . . . 0.0 111.872 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -67.52 151.34 79.91 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.92 2.413 . . . . 0.0 113.137 -175.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -111.99 177.67 4.57 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.875 2.07 . . . . 0.0 110.879 -170.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.4 ptm -53.15 -25.85 14.86 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.596 -1.315 . . . . 0.0 114.136 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -86.09 -46.31 10.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.146 0.978 . . . . 0.0 111.811 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.03 -34.34 50.6 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -177.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.9 mtm-85 -59.46 -45.39 91.75 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.622 1.101 . . . . 0.0 111.748 169.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -61.21 -43.55 98.7 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 122.08 -0.387 . . . . 0.0 111.732 171.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -54.03 -38.95 65.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.864 0.866 . . . . 0.0 112.833 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.445 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -82.98 -32.69 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 119.149 0.886 . . . . 0.0 111.579 177.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.14 -29.85 67.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.438 1.095 . . . . 0.0 112.628 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.13 -30.41 47.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.406 2.282 . . . . 0.0 114.144 -171.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -117.19 7.59 13.02 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.906 1.282 . . . . 0.0 113.449 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.7 p -115.37 6.33 14.82 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.673 1.189 . . . . 0.0 113.371 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.58 40.44 23.65 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.33 1.452 . . . . 0.0 113.023 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.9 mt -117.29 -179.61 3.76 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.099 1.76 . . . . 0.0 111.351 175.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.2 t -126.65 161.7 27.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.173 1.389 . . . . 0.0 109.315 167.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.2 -28.41 67.96 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.642 -1.286 . . . . 0.0 113.587 -172.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.06 91.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.173 0.989 . . . . 0.0 112.593 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -59.95 -44.45 94.38 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.837 0.855 . . . . 0.0 111.195 172.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.1 -45.14 97.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.198 0.599 . . . . 0.0 109.914 177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -59.9 -43.62 94.72 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.961 0.904 . . . . 0.0 112.29 177.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.07 -44.94 97.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.805 1.242 . . . . 0.0 111.598 175.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -64.33 -47.08 80.76 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.889 0.768 . . . . 0.0 111.812 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -66.09 -28.07 68.55 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.991 0.917 . . . . 0.0 112.865 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -70.42 -44.38 68.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.259 1.023 . . . . 0.0 111.635 170.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -64.67 -35.34 80.71 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 122.018 -0.427 . . . . 0.0 111.932 173.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 43.9 tpt85 -67.12 -39.97 86.75 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.01 -1.056 . . . . 0.0 113.798 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -74.52 -31.83 62.28 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.181 0.592 . . . . 0.0 112.258 174.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.5 97.77 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.044 0.384 . . . . 0.0 111.294 169.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 63.0 mtpt -69.48 -35.24 75.4 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.538 1.135 . . . . 0.0 112.196 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -59.91 -48.14 82.91 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 118.679 0.672 . . . . 0.0 111.188 168.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -61.82 -22.45 65.48 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.747 1.388 . . . . 0.0 114.747 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -66.78 -25.09 66.3 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-N 119.347 0.976 . . . . 0.0 113.286 169.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -115.36 -24.73 8.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.609 1.564 . . . . 0.0 114.13 -173.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 54.77 38.44 30.17 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.518 1.927 . . . . 0.0 113.757 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -67.91 -43.99 77.96 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 121.48 -0.762 . . . . 0.0 112.325 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -93.75 152.37 18.98 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.239 1.415 . . . . 0.0 110.357 168.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 36.5 mm -130.39 130.82 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.416 1.486 . . . . 0.0 109.592 179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 61.5 t -81.43 132.2 32.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.601 1.16 . . . . 0.0 110.298 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 46.7 p -110.86 -16.29 13.59 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 126.099 1.76 . . . . 0.0 112.863 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.636 -0.586 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 21.4 m -64.05 138.75 58.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.328 1.051 . . . . 0.0 113.062 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -78.07 6.68 7.42 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.435 1.494 . . . . 0.0 114.584 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -73.66 26.49 0.07 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 126.983 2.113 . . . . 0.0 115.791 -174.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -85.03 153.79 22.51 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.099 1.759 . . . . 0.0 111.852 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 18.7 mp0 -96.09 -15.88 21.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.795 1.238 . . . . 0.0 113.918 -171.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -92.64 144.47 25.29 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.919 1.288 . . . . 0.0 112.23 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 39.2 m -83.19 134.15 34.99 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.745 1.218 . . . . 0.0 111.053 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -74.33 -46.75 38.81 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.693 0.797 . . . . 0.0 112.811 177.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -75.51 156.89 34.7 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -169.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 p -100.05 158.81 15.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.923 1.289 . . . . 0.0 111.685 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.3 m -63.11 -6.54 4.27 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 172.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -92.01 -44.04 9.08 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.188 0.995 . . . . 0.0 111.255 169.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -64.0 -43.96 94.09 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.344 -0.847 . . . . 0.0 111.599 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.23 -31.82 67.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.022 1.329 . . . . 0.0 112.845 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -74.66 -38.31 62.47 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.329 0.652 . . . . 0.0 112.255 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -69.99 -34.76 73.77 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 118.778 0.717 . . . . 0.0 111.745 174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 26.9 mt -65.5 -51.74 57.78 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.349 1.06 . . . . 0.0 111.456 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.17 -18.36 60.19 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.7 -47.34 19.37 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.565 0.746 . . . . 0.0 112.034 169.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.4 t -69.69 -26.92 64.6 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.012 -1.055 . . . . 0.0 112.305 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -55.36 -29.27 58.07 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.938 1.695 . . . . 0.0 112.831 169.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.93 -36.69 67.27 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -89.42 -23.91 22.03 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.666 1.186 . . . . 0.0 113.693 177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -138.74 102.14 4.5 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.144 1.378 . . . . 0.0 109.701 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -81.12 -10.59 59.63 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -176.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -150.88 65.77 7.03 Favored Pre-proline 0 CA--C 1.551 0.999 0 C-N-CA 125.069 1.347 . . . . 0.0 112.172 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -67.07 155.86 68.93 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.961 2.44 . . . . 0.0 112.599 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -117.76 176.94 4.95 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 127.16 2.184 . . . . 0.0 110.494 -175.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.11 -29.88 9.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 120.696 -1.252 . . . . 0.0 114.019 -178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -82.82 -43.13 17.03 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.415 0.686 . . . . 0.0 112.499 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.07 -35.02 43.11 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.922 0.889 . . . . 0.0 112.865 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -57.38 -46.92 82.91 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.367 1.067 . . . . 0.0 111.382 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -62.15 -42.7 99.51 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 118.215 0.461 . . . . 0.0 111.14 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.97 -30.66 64.29 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 178.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -32.94 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 120.079 1.309 . . . . 0.0 112.115 172.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.48 -29.07 65.51 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.505 1.122 . . . . 0.0 112.705 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.54 -32.6 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 127.736 2.415 . . . . 0.0 113.979 -173.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.68 7.51 14.74 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.857 1.263 . . . . 0.0 113.338 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.0 p -115.88 6.69 14.3 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.889 1.276 . . . . 0.0 113.157 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.38 40.22 24.51 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.59 1.556 . . . . 0.0 113.902 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -118.11 -177.22 3.22 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.147 1.779 . . . . 0.0 111.852 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.8 t -132.98 165.52 24.52 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.781 1.632 . . . . 0.0 109.707 168.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -31.21 68.13 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.023 -1.048 . . . . 0.0 113.268 -171.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.88 -37.54 86.41 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.256 1.022 . . . . 0.0 112.127 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -63.59 -44.09 95.06 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.821 0.848 . . . . 0.0 110.979 173.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 t -65.53 -44.72 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 122.762 0.425 . . . . 0.0 110.65 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.69 -49.69 72.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.951 1.301 . . . . 0.0 111.344 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.4 t -62.11 -44.09 98.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.697 1.199 . . . . 0.0 111.533 177.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -64.76 -47.03 79.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.515 0.598 . . . . 0.0 111.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -68.42 -24.14 64.71 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.017 0.927 . . . . 0.0 113.117 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -75.74 -36.12 59.99 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.651 1.18 . . . . 0.0 111.893 172.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -71.93 -40.81 68.49 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.898 -0.501 . . . . 0.0 111.963 169.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -64.26 -37.94 89.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 118.158 -0.925 . . . . 0.0 112.821 -173.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 ptp180 -65.62 -32.36 73.9 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.737 1.153 . . . . 0.0 113.28 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.15 -33.99 65.82 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.532 -0.73 . . . . 0.0 112.497 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -79.28 -36.69 39.38 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.194 0.997 . . . . 0.0 113.098 176.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -51.91 -43.12 63.25 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.468 1.907 . . . . 0.0 111.448 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.67 -20.43 60.89 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -91.72 -10.65 39.37 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.207 1.403 . . . . 0.0 114.006 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -113.87 -21.88 10.42 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.362 1.465 . . . . 0.0 114.071 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 51.15 56.27 8.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.831 2.053 . . . . 0.0 112.278 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.42 -16.69 63.88 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.899 1.279 . . . . 0.0 114.443 -173.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -98.34 139.99 33.29 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.523 1.529 . . . . 0.0 112.01 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 36.4 mm -133.13 134.7 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.291 1.837 . . . . 0.0 109.266 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.25 131.77 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.361 1.065 . . . . 0.0 110.233 176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 49.2 p -105.3 -7.69 18.73 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.339 0 C-N-CA 125.973 1.709 . . . . 0.0 113.908 177.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.473 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m 55.41 32.36 18.69 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.663 1.585 . . . . 0.0 115.245 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 9.4 pm0 -93.52 -12.5 29.5 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -81.66 -21.53 38.09 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 -174.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -60.61 141.71 56.37 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.375 1.47 . . . . 0.0 112.329 178.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -99.25 1.25 44.53 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.847 1.259 . . . . 0.0 114.033 -172.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.16 15.6 5.36 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 127.096 2.159 . . . . 0.0 115.642 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . 0.256 2.8 t 53.25 172.35 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 129.246 3.019 . . . . 0.0 116.763 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -80.54 -52.75 7.25 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.092 1.357 . . . . 0.0 110.91 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -148.4 158.94 44.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.797 1.639 . . . . 0.0 111.208 172.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.5 p -98.94 159.34 15.03 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.398 1.079 . . . . 0.0 111.256 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.9 m -61.29 -10.16 6.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -96.77 -41.51 8.44 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.262 1.425 . . . . 0.0 112.484 172.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.52 -41.72 94.96 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.25 -0.906 . . . . 0.0 111.671 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.7 mt -57.08 -30.74 64.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.113 1.365 . . . . 0.0 113.199 177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -71.09 -40.99 71.2 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.371 0.669 . . . . 0.0 111.339 177.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -71.83 -32.36 67.47 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.252 0.621 . . . . 0.0 111.945 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.66 -50.38 65.17 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.396 1.078 . . . . 0.0 111.521 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -74.21 -17.19 60.93 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.15 -47.05 25.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.551 0.74 . . . . 0.0 112.042 169.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.424 HG21 HG21 ' P' ' 34' ' ' ILE . 2.5 t -70.25 -25.18 63.25 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 121.028 -1.045 . . . . 0.0 112.357 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -54.98 -32.98 62.09 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.131 1.372 . . . . 0.0 111.881 169.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -68.32 -36.9 79.98 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.46 -0.775 . . . . 0.0 113.044 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -86.32 -26.97 24.61 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.985 0.914 . . . . 0.0 113.095 175.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -143.14 102.32 3.97 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.835 1.254 . . . . 0.0 110.865 -173.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -81.02 -8.85 59.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.692 0.797 . . . . 0.0 113.056 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -151.79 65.39 6.32 Favored Pre-proline 0 CA--C 1.552 1.032 0 C-N-CA 125.198 1.399 . . . . 0.0 111.968 -174.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -66.66 152.84 79.84 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.099 2.532 . . . . 0.0 113.016 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -112.96 177.27 4.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.894 2.078 . . . . 0.0 110.764 -171.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.1 ptm -51.66 -27.97 13.15 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.665 -1.272 . . . . 0.0 114.125 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 32.6 m -84.3 -44.0 14.26 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.77 0.828 . . . . 0.0 112.164 178.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -34.13 40.38 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.029 0.932 . . . . 0.0 113.151 -178.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 74.3 mtm-85 -59.86 -45.29 92.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.078 -1.014 . . . . 0.0 111.964 170.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.66 -43.54 98.66 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 122.047 -0.408 . . . . 0.0 111.564 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -53.9 -37.3 63.63 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.668 0.787 . . . . 0.0 112.957 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.424 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -85.05 -32.21 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-N 119.213 0.915 . . . . 0.0 111.934 177.04 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.04 -29.3 67.42 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.145 0.978 . . . . 0.0 112.622 -178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.39 -30.85 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 127.31 2.244 . . . . 0.0 114.183 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -116.66 6.77 13.4 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.871 1.268 . . . . 0.0 113.554 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.4 p -114.4 5.84 15.8 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.617 1.167 . . . . 0.0 113.366 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 57.81 41.19 25.31 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.433 1.493 . . . . 0.0 113.525 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -116.56 -179.87 3.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.034 1.734 . . . . 0.0 111.285 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.4 t -127.46 161.35 28.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.144 1.378 . . . . 0.0 109.027 167.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -28.48 67.27 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.058 -1.026 . . . . 0.0 113.302 -171.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.82 -38.07 85.74 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.558 1.143 . . . . 0.0 112.679 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -60.46 -45.76 92.55 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.277 -0.889 . . . . 0.0 110.211 172.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 t -64.75 -43.47 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.229 0.611 . . . . 0.0 110.747 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ttm180 -58.0 -46.78 84.7 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.038 1.335 . . . . 0.0 111.615 175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.1 t -62.17 -44.84 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.733 1.213 . . . . 0.0 111.375 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -64.22 -48.42 75.89 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.369 0.531 . . . . 0.0 111.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.66 -21.96 64.42 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -74.21 -42.53 59.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.173 0.897 . . . . 0.0 111.46 169.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -70.88 -37.21 73.03 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -61.33 -40.86 95.81 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 121.066 -1.022 . . . . 0.0 113.272 -170.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -69.75 -32.78 71.51 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.53 -30.8 68.71 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -79.92 -38.83 31.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.579 1.152 . . . . 0.0 113.026 174.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -55.1 -45.03 75.44 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.507 1.523 . . . . 0.0 112.489 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -60.27 -20.86 60.77 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -73.33 -17.37 61.31 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.655 1.182 . . . . 0.0 113.464 174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 81.3 mmt-85 -130.2 -18.02 3.34 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 125.372 1.469 . . . . 0.0 114.608 -177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 55.62 42.15 29.81 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.717 1.607 . . . . 0.0 113.013 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -63.94 -25.02 67.95 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.859 1.263 . . . . 0.0 113.789 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -119.59 153.84 34.85 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 127.237 2.215 . . . . 0.0 109.576 169.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 57.4 mt -131.65 128.64 60.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.315 1.046 . . . . 0.0 109.985 -177.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.3 t -87.72 133.15 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 125.166 1.387 . . . . 0.0 110.159 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 11.1 t -96.43 -28.31 14.5 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.99 1.716 . . . . 0.0 112.819 -179.649 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 31.3 m -68.18 152.19 45.85 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.469 1.107 . . . . 0.0 113.11 -178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -59.26 148.85 30.42 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.34 1.056 . . . . 0.0 113.297 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -81.18 49.12 1.21 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.092 1.757 . . . . 0.0 114.197 -168.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 50.53 47.2 24.53 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.992 2.117 . . . . 0.0 112.492 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -80.21 63.33 4.66 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.957 1.703 . . . . 0.0 111.935 -173.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -126.88 161.63 27.81 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 127.529 2.332 . . . . 0.0 111.114 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -65.83 -28.02 68.67 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.449 1.1 . . . . 0.0 112.765 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 64.7 -32.31 0.14 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 128.781 2.832 . . . . 0.0 116.401 175.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -119.87 162.99 18.2 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.545 2.338 . . . . 0.0 110.515 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.7 p -94.69 157.53 15.92 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.783 0.833 . . . . 0.0 111.695 175.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -63.19 -6.82 4.75 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 172.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -91.5 -44.44 9.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 0.0 111.002 169.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -63.22 -45.82 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.47 -0.769 . . . . 0.0 111.297 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -56.83 -33.06 66.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.938 1.295 . . . . 0.0 112.932 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.38 -38.25 60.09 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.261 0.624 . . . . 0.0 112.178 178.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -68.76 -34.87 76.31 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 118.779 0.718 . . . . 0.0 111.76 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.0 -52.24 51.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.279 1.031 . . . . 0.0 111.396 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.07 -20.13 60.38 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.1 -44.18 26.91 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.421 0.688 . . . . 0.0 112.16 169.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.56 -26.2 62.53 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 120.916 -1.115 . . . . 0.0 112.423 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -57.51 -26.59 61.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.502 1.521 . . . . 0.0 112.369 168.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.93 -37.7 61.97 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 113.193 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -83.93 -27.65 28.41 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.908 0.883 . . . . 0.0 112.886 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -138.19 101.2 4.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.1 1.36 . . . . 0.0 109.734 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -80.23 -11.82 59.69 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.4 p90 -150.19 66.57 7.92 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.114 1.366 . . . . 0.0 111.914 -173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -67.03 157.9 59.44 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 123.049 2.499 . . . . 0.0 112.665 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -120.55 -179.42 3.97 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.066 2.146 . . . . 0.0 110.419 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -51.12 -31.61 20.0 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.488 -1.383 . . . . 0.0 113.591 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 26.7 p -77.0 -49.45 15.37 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.885 1.274 . . . . 0.0 112.224 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.99 -34.71 50.69 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.121 0.968 . . . . 0.0 113.089 -177.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtm105 -60.46 -43.54 96.79 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.554 1.07 . . . . 0.0 111.916 171.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.22 -44.45 96.54 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.326 0.512 . . . . 0.0 111.433 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.52 -32.46 67.07 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.46 -32.19 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 CA-C-N 119.87 1.213 . . . . 0.0 111.833 173.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.84 -29.93 67.3 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.382 1.073 . . . . 0.0 112.977 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 t -59.79 -31.43 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.856 2.463 . . . . 0.0 114.015 -172.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -116.36 7.32 13.88 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.97 1.308 . . . . 0.0 113.522 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 65.7 p -115.25 6.67 15.04 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.67 1.188 . . . . 0.0 113.312 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.68 39.73 24.11 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.213 1.405 . . . . 0.0 113.052 -176.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -116.95 -177.23 3.15 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.28 1.832 . . . . 0.0 111.214 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -130.79 163.63 26.92 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.538 1.535 . . . . 0.0 109.628 168.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -59.53 -25.83 64.83 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.96 -37.69 69.88 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.669 1.188 . . . . 0.0 112.386 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -59.22 -44.5 92.28 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.713 0.805 . . . . 0.0 111.004 172.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.1 t -64.87 -44.04 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.306 0.642 . . . . 0.0 110.359 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.6 ttt-85 -60.33 -45.23 94.18 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.287 0.635 . . . . 0.0 112.175 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.19 -42.57 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.892 1.277 . . . . 0.0 111.501 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -66.87 -46.91 73.5 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.113 0.87 . . . . 0.0 112.133 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -64.87 -30.4 71.4 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.673 -0.642 . . . . 0.0 111.384 177.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -70.22 -39.44 75.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.881 0.872 . . . . 0.0 112.494 171.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -65.82 -32.44 73.96 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.526 -0.734 . . . . 0.0 111.84 170.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -65.7 -39.04 90.82 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.142 -0.974 . . . . 0.0 111.743 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -60.05 -42.61 94.83 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.793 0.837 . . . . 0.0 112.099 168.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.47 97.23 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.462 0.574 . . . . 0.0 111.762 177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.22 -33.74 75.99 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.266 1.027 . . . . 0.0 112.327 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.19 -48.65 77.43 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.361 0.665 . . . . 0.0 111.41 169.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -62.53 -21.66 65.71 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.85 1.26 . . . . 0.0 114.262 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -70.5 -19.48 62.92 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.092 0.957 . . . . 0.0 113.546 169.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -117.11 -25.46 7.15 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.292 1.437 . . . . 0.0 114.533 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 53.67 46.24 26.35 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.377 1.871 . . . . 0.0 113.961 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.13 -0.27 31.0 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -174.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -96.9 142.46 28.85 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.108 1.363 . . . . 0.0 112.286 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.2 mm -134.15 134.11 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.351 1.86 . . . . 0.0 109.18 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.27 129.53 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.192 0.997 . . . . 0.0 110.117 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 58.8 p -109.9 -5.82 15.39 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.703 1.201 . . . . 0.0 114.131 -177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 126.097 1.759 . . . . 0.0 113.624 177.357 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.751 -0.54 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 47.0 p -76.48 156.96 32.57 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.871 1.268 . . . . 0.0 113.098 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -80.8 153.54 27.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.6 1.16 . . . . 0.0 112.252 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 63.75 -19.86 0.06 Allowed 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 128.168 2.587 . . . . 0.0 117.572 177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -62.86 129.26 39.66 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.029 1.286 . . . . 0.0 111.503 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 52.1 13.55 0.27 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.765 2.026 . . . . 0.0 115.938 177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 mmt-85 -69.95 -25.87 63.85 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 120.98 -1.075 . . . . 0.0 113.321 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 97.5 m -62.37 132.76 53.66 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.552 1.141 . . . . 0.0 110.011 169.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -68.15 -53.8 22.55 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.384 0.674 . . . . 0.0 111.695 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -149.92 159.17 44.59 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.484 1.514 . . . . 0.0 112.242 174.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -102.64 159.65 15.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.855 1.262 . . . . 0.0 111.737 172.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 9.3 m -62.19 -10.63 11.14 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -91.24 -42.23 10.52 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.347 1.059 . . . . 0.0 111.923 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -63.53 -42.95 98.4 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.33 -0.856 . . . . 0.0 111.683 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.5 mt -57.75 -32.69 67.71 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.95 1.3 . . . . 0.0 112.783 178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.2 -38.4 69.05 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.356 0.662 . . . . 0.0 112.163 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -71.6 -33.27 68.86 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.649 -0.657 . . . . 0.0 112.008 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 mt -66.76 -50.72 61.8 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.346 1.058 . . . . 0.0 111.472 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.46 -25.16 63.96 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.51 -47.74 31.25 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 118.912 0.778 . . . . 0.0 111.927 173.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -69.92 -26.48 64.17 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.253 -0.904 . . . . 0.0 112.458 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -58.99 -28.59 66.5 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.452 1.501 . . . . 0.0 112.783 170.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -72.12 -38.71 69.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.315 -0.866 . . . . 0.0 112.955 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.51 -25.25 25.2 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.482 1.113 . . . . 0.0 113.271 178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -136.54 105.1 5.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.949 1.3 . . . . 0.0 110.46 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -86.24 -1.72 57.73 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -151.2 57.08 2.23 Favored Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 125.473 1.509 . . . . 0.0 113.416 -170.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -68.87 153.83 72.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.201 1.934 . . . . 0.0 112.483 -179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -120.49 178.11 4.79 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.441 2.296 . . . . 0.0 110.262 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -50.17 -29.24 8.87 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 120.782 -1.199 . . . . 0.0 114.022 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.6 m -83.19 -44.64 14.81 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.627 0.771 . . . . 0.0 112.366 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.79 -35.51 44.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.15 0.98 . . . . 0.0 112.935 -178.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -56.89 -46.51 81.84 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.184 0.994 . . . . 0.0 111.329 169.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -62.6 -42.35 99.52 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.924 -0.485 . . . . 0.0 111.32 174.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -56.95 -30.29 63.92 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.982 1.104 . . . . 0.0 113.982 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.53 -31.98 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.984 1.266 . . . . 0.0 112.144 172.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.01 -28.64 63.52 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.423 1.089 . . . . 0.0 112.881 -176.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.56 -33.47 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.741 2.416 . . . . 0.0 113.929 -173.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.0 p-90 -114.03 6.67 16.53 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.8 1.24 . . . . 0.0 113.371 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.7 p -115.73 6.08 14.35 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.87 1.268 . . . . 0.0 113.185 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 58.85 38.3 24.62 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.453 1.501 . . . . 0.0 113.78 -176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.0 -178.28 3.34 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.875 1.67 . . . . 0.0 111.567 175.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -132.22 164.88 25.39 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.618 1.567 . . . . 0.0 109.568 168.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -30.79 67.4 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.988 -1.07 . . . . 0.0 113.263 -171.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.41 -38.55 87.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.422 1.089 . . . . 0.0 112.275 177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -61.72 -45.32 94.47 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.375 -0.828 . . . . 0.0 110.425 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -64.83 -45.57 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 122.888 0.475 . . . . 0.0 110.76 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -54.82 -49.06 71.94 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.004 1.321 . . . . 0.0 111.301 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.31 -44.22 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.804 1.241 . . . . 0.0 111.607 177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -64.47 -45.54 86.91 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 118.551 0.614 . . . . 0.0 112.35 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -68.99 -34.4 75.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.543 1.137 . . . . 0.0 111.976 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 41.0 ttpt -65.84 -43.85 87.24 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.0 0.92 . . . . 0.0 111.635 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -61.75 -33.96 74.98 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.724 0.409 . . . . 0.0 111.495 169.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.17 -41.76 89.89 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.335 -0.853 . . . . 0.0 113.183 175.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -61.0 -41.24 96.15 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.786 0.721 . . . . 0.0 111.725 171.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.52 -45.25 91.49 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.283 0.492 . . . . 0.0 111.72 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -66.81 -34.17 77.23 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.574 1.15 . . . . 0.0 112.519 178.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -63.81 -48.53 76.48 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 123.965 0.906 . . . . 0.0 111.455 171.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -62.99 -23.65 67.54 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 -175.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -68.51 -22.78 64.51 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 169.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -115.94 -25.85 7.55 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.395 1.878 . . . . 0.0 113.748 -170.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 55.97 35.16 25.02 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.607 2.363 . . . . 0.0 114.271 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -75.33 -50.08 17.12 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -76.81 145.82 38.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.712 0.805 . . . . 0.0 110.975 171.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 mm -138.28 134.4 44.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 126.145 1.778 . . . . 0.0 108.809 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 6.7 t -78.9 137.68 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.974 0.91 . . . . 0.0 110.406 177.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -87.73 -11.04 49.36 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 -171.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 126.31 1.844 . . . . 0.0 113.204 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.1 t -70.2 138.08 51.46 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.837 0.855 . . . . 0.0 112.893 -176.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 55.75 20.81 4.24 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.723 2.009 . . . . 0.0 116.013 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -78.75 169.4 18.28 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.036 1.335 . . . . 0.0 113.022 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.02 158.46 42.65 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.108 1.763 . . . . 0.0 111.046 -176.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 34.7 tp60 -83.56 56.74 3.73 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.244 1.018 . . . . 0.0 112.587 -170.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 61.19 -48.09 0.12 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 128.989 2.916 . . . . 0.0 114.666 -169.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 15.4 t -76.06 172.92 11.97 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.359 1.464 . . . . 0.0 110.435 167.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -70.13 -6.22 32.53 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.381 1.472 . . . . 0.0 114.334 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -111.53 160.55 17.06 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.931 2.092 . . . . 0.0 112.253 -176.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -91.49 160.12 15.59 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.933 0.893 . . . . 0.0 110.929 174.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -57.64 -19.42 26.34 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -95.76 -39.18 9.99 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.298 1.039 . . . . 0.0 112.474 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -56.79 -42.82 80.15 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.439 1.018 . . . . 0.0 110.926 176.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 37.7 mt -56.32 -33.21 65.39 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.486 1.115 . . . . 0.0 113.235 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -70.31 -41.97 72.6 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.489 0.716 . . . . 0.0 111.332 178.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.15 -35.03 75.91 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 122.696 0.399 . . . . 0.0 111.186 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.9 mt -66.81 -51.18 58.72 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.719 1.208 . . . . 0.0 111.568 175.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.76 -26.76 65.39 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.645 0.979 . . . . 0.0 113.645 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 -47.04 33.56 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.784 0.72 . . . . 0.0 111.925 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.2 t -70.27 -26.18 63.7 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.286 -0.884 . . . . 0.0 112.39 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -60.29 -25.71 65.95 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.27 1.428 . . . . 0.0 112.857 171.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -74.66 -38.49 62.44 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.141 -0.974 . . . . 0.0 113.129 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -86.55 -25.43 25.03 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.372 1.069 . . . . 0.0 113.26 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -135.81 105.02 5.95 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.072 1.349 . . . . 0.0 109.745 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -84.42 -9.0 58.79 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -150.04 63.46 6.25 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 124.925 1.29 . . . . 0.0 112.423 -171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -67.69 151.8 78.64 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.671 2.248 . . . . 0.0 112.881 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.77 177.74 4.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 127.386 2.274 . . . . 0.0 110.561 -175.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.22 -29.63 5.94 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.8 m -85.17 -43.89 13.42 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 0.0 112.277 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.44 -35.19 40.82 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.935 0.894 . . . . 0.0 113.112 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 49.7 mtt180 -56.12 -48.23 76.6 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 119.362 0.983 . . . . 0.0 111.058 169.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.89 -41.53 99.45 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 122.002 -0.436 . . . . 0.0 111.579 174.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -56.69 -30.93 63.96 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.43 -32.63 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 CA-C-N 119.829 1.195 . . . . 0.0 111.861 172.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.61 -28.08 62.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.655 1.182 . . . . 0.0 113.059 -175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.7 t -59.55 -34.83 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 127.862 2.465 . . . . 0.0 113.971 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 37.0 p-90 -112.75 5.95 17.87 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.77 1.228 . . . . 0.0 113.296 -178.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -115.18 5.72 14.87 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.891 1.276 . . . . 0.0 113.151 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 58.45 41.98 21.9 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.657 1.583 . . . . 0.0 113.821 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.4 mt -118.42 -177.47 3.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.411 1.884 . . . . 0.0 111.568 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -132.69 165.31 24.78 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.862 1.665 . . . . 0.0 109.648 168.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -58.92 -30.11 67.58 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.599 -1.313 . . . . 0.0 113.742 -172.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.09 91.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.011 0.924 . . . . 0.0 111.981 177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -60.54 -45.3 94.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.798 0.839 . . . . 0.0 111.23 172.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.51 -46.58 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.072 0.549 . . . . 0.0 110.272 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 ttt-85 -61.38 -42.1 98.18 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.944 0.897 . . . . 0.0 112.416 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -64.06 -45.61 96.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.834 1.253 . . . . 0.0 111.447 174.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 56.6 t90 -63.89 -46.39 85.09 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.45 -0.781 . . . . 0.0 111.896 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -66.04 -31.14 71.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.993 0.917 . . . . 0.0 112.148 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -64.52 -47.5 78.62 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.348 1.059 . . . . 0.0 111.318 169.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -67.22 -33.04 74.51 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.802 -0.561 . . . . 0.0 111.846 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.87 -37.83 76.21 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.752 1.221 . . . . 0.0 113.171 172.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 35.1 mtt85 -59.58 -40.44 87.42 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.79 0.836 . . . . 0.0 112.031 169.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.02 92.87 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 172.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -37.25 86.76 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.08 0.855 . . . . 0.0 112.191 174.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -63.12 -47.3 83.39 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.306 1.042 . . . . 0.0 111.67 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -61.99 -24.46 67.04 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -69.28 -22.78 63.79 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 170.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -116.55 -25.25 7.49 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.454 1.902 . . . . 0.0 113.782 -169.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 55.42 37.82 29.43 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.162 2.185 . . . . 0.0 113.733 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.84 -40.34 83.73 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.899 0.88 . . . . 0.0 113.219 -175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -97.57 144.92 26.77 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.549 1.54 . . . . 0.0 110.28 169.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 55.2 mt -139.8 132.37 34.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.576 1.55 . . . . 0.0 108.757 179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 50.7 t -76.97 131.75 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.081 0.952 . . . . 0.0 110.453 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 48.5 p -102.63 -10.74 18.99 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.915 1.686 . . . . 0.0 113.83 177.875 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . 0.273 79.2 p 44.1 -101.35 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.227 2.211 . . . . 0.0 115.32 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -137.65 156.51 47.96 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.937 1.695 . . . . 0.0 112.337 -174.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -80.2 -21.74 42.61 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.0 1.481 . . . . 0.0 115.0 -178.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? 49.12 27.11 1.64 Allowed 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 126.553 1.941 . . . . 0.0 114.109 -172.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 54.38 24.74 5.39 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.321 2.249 . . . . 0.0 115.457 -171.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -88.01 -38.14 15.75 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.212 1.005 . . . . 0.0 113.304 -178.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 57.2 m -143.74 133.96 24.43 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.464 1.506 . . . . 0.0 110.066 -176.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -115.43 0.97 13.57 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.832 1.253 . . . . 0.0 114.368 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -102.4 170.62 7.95 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.468 1.907 . . . . 0.0 110.283 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.6 p -96.54 157.87 15.7 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.305 -0.872 . . . . 0.0 110.579 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -63.31 -6.86 5.12 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 174.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -99.45 -41.02 7.58 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.495 1.518 . . . . 0.0 112.426 172.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -58.73 -44.55 90.48 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.335 0.97 . . . . 0.0 111.172 178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.1 mt -54.65 -33.32 60.48 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.876 1.27 . . . . 0.0 113.438 176.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -70.13 -41.28 74.14 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.482 0.713 . . . . 0.0 111.376 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -71.37 -32.24 68.26 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.994 0.518 . . . . 0.0 111.599 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.8 mt -66.99 -51.02 60.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.184 0.994 . . . . 0.0 111.539 174.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.92 -24.9 63.44 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.38 -45.56 31.25 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.748 0.703 . . . . 0.0 112.025 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -24.75 62.08 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.05 -1.031 . . . . 0.0 112.232 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -59.73 -23.38 63.14 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.598 1.559 . . . . 0.0 112.681 169.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -77.12 -38.72 51.52 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.113 -0.992 . . . . 0.0 113.125 176.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -82.42 -25.57 33.56 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.621 1.168 . . . . 0.0 112.873 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -140.53 109.38 6.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.81 1.244 . . . . 0.0 110.553 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -92.08 -0.13 57.46 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.987 0.915 . . . . 0.0 112.788 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -151.56 51.25 0.77 Allowed Pre-proline 0 CA--C 1.555 1.147 0 C-N-CA 125.704 1.602 . . . . 0.0 113.279 -169.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -67.8 148.89 77.95 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 121.995 1.797 . . . . 0.0 112.834 -174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -115.06 179.48 3.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 127.512 2.325 . . . . 0.0 110.452 -172.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.8 ptm -52.53 -26.21 12.5 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 120.548 -1.345 . . . . 0.0 114.225 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 24.1 t -85.8 -46.09 10.98 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.984 0.914 . . . . 0.0 111.988 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -32.88 46.46 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.161 -0.962 . . . . 0.0 113.595 -177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 83.3 mtm-85 -60.03 -44.81 94.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.669 -1.27 . . . . 0.0 111.578 168.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -61.79 -42.2 98.7 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 122.01 -0.432 . . . . 0.0 111.811 171.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -53.1 -39.0 63.08 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.805 0.842 . . . . 0.0 112.894 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.04 -32.84 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 CA-C-N 118.963 0.801 . . . . 0.0 111.439 178.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.87 65.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.376 1.07 . . . . 0.0 112.809 -177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.57 -30.2 47.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 127.258 2.223 . . . . 0.0 114.055 -171.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -117.06 6.85 12.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.976 1.31 . . . . 0.0 113.463 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.8 p -115.09 5.99 15.04 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.649 1.179 . . . . 0.0 113.322 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.04 41.35 24.3 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.294 1.438 . . . . 0.0 113.07 -176.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.1 mt -116.61 179.34 4.03 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.987 1.715 . . . . 0.0 111.351 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.0 t -125.34 161.94 25.89 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.064 1.346 . . . . 0.0 109.441 167.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -28.33 67.67 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.705 -1.247 . . . . 0.0 113.334 -173.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.53 86.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.426 1.09 . . . . 0.0 112.561 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -59.92 -44.67 94.18 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.271 0.941 . . . . 0.0 110.978 171.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.44 -44.35 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 123.196 0.598 . . . . 0.0 110.465 178.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -57.28 -48.02 79.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.476 1.111 . . . . 0.0 111.64 175.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.51 -44.98 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.865 1.266 . . . . 0.0 111.53 177.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 59.8 t90 -64.47 -47.34 79.34 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 118.388 0.54 . . . . 0.0 111.618 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -65.37 -33.0 74.94 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.418 0.687 . . . . 0.0 112.116 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -66.19 -45.14 81.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.22 0.608 . . . . 0.0 111.317 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -64.73 -37.2 86.78 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.78 0.432 . . . . 0.0 111.832 172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -69.39 -36.59 76.92 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.148 -0.97 . . . . 0.0 113.404 -179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 -65.98 -41.78 90.69 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.055 1.342 . . . . 0.0 111.857 170.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.68 98.42 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 122.423 0.289 . . . . 0.0 111.47 175.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.32 -37.11 77.58 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.185 0.994 . . . . 0.0 112.574 176.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -56.78 -44.86 82.29 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.534 0.734 . . . . 0.0 111.247 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -63.63 -26.14 68.54 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -76.6 -35.38 58.16 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 119.462 1.028 . . . . 0.0 112.13 169.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 62.6 mtp85 -85.16 -29.23 24.93 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.85 1.66 . . . . 0.0 113.997 -174.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 49.52 51.52 16.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.744 2.018 . . . . 0.0 112.387 -173.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.33 -19.47 61.85 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.889 1.676 . . . . 0.0 115.047 -171.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -129.08 137.89 51.52 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.749 1.62 . . . . 0.0 111.712 176.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mm -138.75 136.64 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 127.032 2.133 . . . . 0.0 108.166 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.7 t -79.44 126.33 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.686 0.794 . . . . 0.0 110.314 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 40.6 p -101.54 -14.4 17.49 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 C--O 1.255 1.362 0 C-N-CA 127.817 2.447 . . . . 0.0 114.872 178.713 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 111.672 -0.571 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 33.6 t -76.05 151.36 37.14 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.988 0.915 . . . . 0.0 112.883 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -79.27 -10.9 59.92 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.756 1.222 . . . . 0.0 112.52 171.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 36.2 mtp-105 -83.88 55.13 3.14 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.874 1.67 . . . . 0.0 111.828 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . 0.462 ' HG3' ' H ' ' P' ' 5' ' ' ARG . 38.2 ptt85 -132.28 -171.43 2.64 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.604 1.962 . . . . 0.0 112.167 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -70.4 -17.23 63.02 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.156 1.382 . . . . 0.0 113.434 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . 0.462 ' H ' ' HG3' ' P' ' 3' ' ' ARG . 98.3 mtt180 62.73 17.23 9.64 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 128.121 2.568 . . . . 0.0 115.194 178.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.98 144.99 55.88 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.193 1.397 . . . . 0.0 110.807 171.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -112.49 3.22 16.7 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.903 1.281 . . . . 0.0 113.874 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -147.77 170.22 18.05 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 128.3 2.64 . . . . 0.0 110.259 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.3 p -98.41 159.14 15.14 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.962 0.905 . . . . 0.0 111.142 169.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.8 m -61.29 -11.15 8.59 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 114.279 1.214 . . . . 0.0 114.279 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -96.34 -40.67 9.01 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.33 1.452 . . . . 0.0 112.509 173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.27 -43.43 96.19 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.319 -0.863 . . . . 0.0 111.491 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 61.9 mt -54.8 -32.87 60.8 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.988 1.315 . . . . 0.0 113.282 176.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -68.52 -40.4 80.8 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.467 0.707 . . . . 0.0 111.536 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -74.68 -29.75 61.33 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.334 0.654 . . . . 0.0 112.047 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.5 mt -68.76 -49.49 58.29 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.722 1.209 . . . . 0.0 111.133 174.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -69.55 -25.0 63.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.1 -46.98 39.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.904 0.775 . . . . 0.0 112.284 172.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.433 HG21 HG21 ' P' ' 34' ' ' ILE . 1.8 t -70.59 -26.2 63.41 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.948 -1.095 . . . . 0.0 112.569 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -58.18 -26.29 62.59 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.399 1.48 . . . . 0.0 112.392 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -73.26 -40.61 64.48 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.377 -0.827 . . . . 0.0 112.97 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -82.22 -27.81 32.31 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.634 0.774 . . . . 0.0 112.784 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -139.98 102.14 4.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.002 1.321 . . . . 0.0 110.128 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -79.52 -14.11 59.09 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -152.25 70.09 7.56 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 125.411 1.484 . . . . 0.0 111.827 -175.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -67.61 170.04 14.63 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.131 2.554 . . . . 0.0 113.202 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.6 171.32 11.75 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.274 2.23 . . . . 0.0 109.398 -177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 24.7 ptm -49.05 -37.04 19.72 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 120.395 1.452 . . . . 0.0 113.892 -172.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.3 m -70.81 -38.08 73.29 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.678 0.791 . . . . 0.0 112.614 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.66 -33.45 27.74 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.492 1.117 . . . . 0.0 112.766 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.9 mtt-85 -62.24 -43.67 98.29 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.793 1.237 . . . . 0.0 111.74 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -63.41 -41.5 98.74 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 121.784 -0.572 . . . . 0.0 111.699 171.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -54.07 -36.72 63.42 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.472 0.709 . . . . 0.0 112.875 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.433 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -85.75 -31.44 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.257 0.935 . . . . 0.0 111.915 177.082 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.84 -28.48 63.58 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.542 1.137 . . . . 0.0 112.915 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -61.16 -31.0 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 127.329 2.252 . . . . 0.0 114.147 -172.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 31.7 p-90 -116.28 7.12 13.92 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.031 1.332 . . . . 0.0 113.513 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.1 p -115.45 6.45 14.75 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.725 1.21 . . . . 0.0 113.381 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.6 t30 58.09 40.72 24.94 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.438 1.495 . . . . 0.0 113.601 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.2 mt -116.76 -178.71 3.49 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.995 1.718 . . . . 0.0 111.407 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -130.84 163.94 26.29 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.742 1.617 . . . . 0.0 109.212 168.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -30.88 66.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.961 -1.087 . . . . 0.0 113.162 -171.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.98 -36.7 82.76 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.769 1.228 . . . . 0.0 112.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -62.07 -44.46 96.64 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.178 -0.951 . . . . 0.0 110.492 171.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -64.9 -41.82 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.368 0.667 . . . . 0.0 110.619 176.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -59.18 -46.23 88.96 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.031 1.332 . . . . 0.0 112.186 174.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.96 -44.85 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.238 1.015 . . . . 0.0 111.691 174.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.3 t90 -63.21 -49.43 74.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.63 0.65 . . . . 0.0 111.939 -179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -67.71 -32.16 72.6 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.901 -0.499 . . . . 0.0 111.87 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -66.7 -35.91 81.25 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.962 0.905 . . . . 0.0 111.974 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -72.3 -42.33 65.62 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 118.23 0.468 . . . . 0.0 111.702 168.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 43.0 tpt85 -63.44 -38.84 92.69 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.111 -0.993 . . . . 0.0 113.278 -175.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -34.51 75.98 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.557 0.743 . . . . 0.0 112.591 175.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.11 -32.25 71.52 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.226 0.61 . . . . 0.0 112.348 174.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.94 -39.2 35.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.734 1.214 . . . . 0.0 112.898 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -55.75 -43.17 76.41 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.395 1.478 . . . . 0.0 112.45 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.37 -22.26 64.79 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -177.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -79.85 -24.1 41.5 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 124.424 1.09 . . . . 0.0 112.777 172.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -100.23 -29.34 12.52 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.334 1.854 . . . . 0.0 113.473 -174.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 53.06 49.54 19.86 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.103 1.761 . . . . 0.0 112.642 -176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -63.28 -20.37 65.41 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.38 1.472 . . . . 0.0 114.717 -173.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -91.02 119.33 31.11 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.796 1.239 . . . . 0.0 111.094 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 54.7 mt -136.19 138.04 47.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.61 1.564 . . . . 0.0 109.489 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 t -134.24 134.52 55.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.532 1.533 . . . . 0.0 109.679 176.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 9.3 m -87.87 -28.51 21.54 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -174.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.537 1.535 . . . . 0.0 113.952 179.555 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.533 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 8.0 t -78.02 161.1 27.72 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.047 0.939 . . . . 0.0 112.775 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -69.5 136.46 51.47 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.765 1.226 . . . . 0.0 111.84 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -85.34 156.63 20.82 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.812 1.245 . . . . 0.0 112.756 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 37.5 mtm105 50.45 -134.29 1.55 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 125.381 1.472 . . . . 0.0 110.722 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -126.93 34.09 4.82 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.264 1.825 . . . . 0.0 110.712 169.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 59.78 -66.63 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 128.42 2.688 . . . . 0.0 114.624 -169.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 49.8 m -63.6 131.43 47.98 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.396 1.478 . . . . 0.0 111.915 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -87.09 -56.08 3.54 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.766 1.226 . . . . 0.0 111.023 171.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -145.92 163.85 33.83 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.8 2.04 . . . . 0.0 111.0 172.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.7 p -98.29 160.36 14.34 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.37 1.068 . . . . 0.0 110.901 170.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -57.08 -20.16 23.57 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 175.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -94.76 -38.94 10.54 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.496 1.118 . . . . 0.0 112.649 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -57.55 -41.11 80.36 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 119.43 1.013 . . . . 0.0 111.11 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.34 -32.59 66.88 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.817 1.247 . . . . 0.0 113.283 175.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -69.88 -40.53 75.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.511 0.724 . . . . 0.0 111.203 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -69.78 -35.08 74.59 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 122.855 0.462 . . . . 0.0 111.335 178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.3 mt -66.42 -50.25 64.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.73 1.212 . . . . 0.0 111.382 175.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -70.37 -22.78 62.73 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 177.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.61 -45.56 29.66 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.587 0.755 . . . . 0.0 112.272 172.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.39 -25.54 62.4 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.996 -1.065 . . . . 0.0 112.208 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -57.67 -28.0 63.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.687 1.595 . . . . 0.0 112.422 169.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.39 -36.65 71.48 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.315 -0.866 . . . . 0.0 113.019 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -84.01 -28.02 27.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.751 0.82 . . . . 0.0 112.825 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -141.51 106.75 4.99 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.664 1.186 . . . . 0.0 111.043 -172.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -85.39 -7.05 59.15 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -152.72 64.44 5.36 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 124.876 1.27 . . . . 0.0 112.216 -174.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -67.49 151.95 79.25 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.78 2.32 . . . . 0.0 112.795 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -114.01 178.07 4.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.121 2.168 . . . . 0.0 110.609 -172.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 21.9 ptm -51.39 -27.92 11.3 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.75 -1.219 . . . . 0.0 114.026 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.9 m -85.07 -43.85 13.54 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.767 0.827 . . . . 0.0 112.208 178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.7 -33.62 40.89 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.954 0.902 . . . . 0.0 113.205 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.3 mtm-85 -60.02 -45.41 92.9 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.094 -1.004 . . . . 0.0 111.972 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -61.48 -42.99 99.62 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 122.032 -0.417 . . . . 0.0 111.643 172.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.04 -34.34 63.43 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.92 -32.81 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 119.173 0.897 . . . . 0.0 111.807 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.71 -29.56 68.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.442 1.097 . . . . 0.0 112.72 -177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 t -60.94 -31.28 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 127.325 2.25 . . . . 0.0 114.198 -171.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -115.88 6.12 14.19 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.901 1.281 . . . . 0.0 113.522 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 67.9 p -113.85 5.74 16.4 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.705 1.202 . . . . 0.0 113.497 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.2 t30 57.92 40.31 25.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.334 1.454 . . . . 0.0 113.521 -175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -115.66 179.25 4.03 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.855 1.662 . . . . 0.0 111.271 175.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.3 t -126.57 161.54 27.78 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.085 1.354 . . . . 0.0 108.951 167.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -28.2 66.95 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.045 -1.034 . . . . 0.0 113.319 -171.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.1 -38.2 85.27 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.625 1.17 . . . . 0.0 112.688 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -60.72 -45.4 94.38 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.187 -0.946 . . . . 0.0 110.312 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -65.26 -43.37 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.362 0.665 . . . . 0.0 110.676 177.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -57.6 -46.08 84.49 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.89 1.276 . . . . 0.0 111.435 175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.07 -46.01 97.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.42 1.088 . . . . 0.0 111.446 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 51.6 t90 -63.67 -48.49 76.97 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.541 0.61 . . . . 0.0 111.773 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -69.68 -22.9 63.39 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -73.47 -41.99 62.46 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.259 0.936 . . . . 0.0 111.321 169.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -68.71 -36.11 78.02 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 174.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -64.37 -35.78 82.01 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -169.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -74.8 -33.03 62.16 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.823 0.849 . . . . 0.0 112.749 175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.72 95.24 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.81 -0.556 . . . . 0.0 110.995 169.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.29 -34.4 74.66 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.048 0.939 . . . . 0.0 112.137 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -58.74 -46.24 87.85 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.891 0.769 . . . . 0.0 110.669 169.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -64.27 -27.57 69.13 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 178.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 mptt -69.65 -40.91 76.21 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.974 0.91 . . . . 0.0 112.372 169.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -88.86 -29.88 19.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.377 1.471 . . . . 0.0 114.204 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 53.6 48.47 21.57 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.544 2.338 . . . . 0.0 113.049 -169.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.59 -31.82 70.96 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.524 1.53 . . . . 0.0 112.955 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -132.03 142.68 49.65 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.109 2.164 . . . . 0.0 110.373 174.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mt -139.05 133.33 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.299 1.839 . . . . 0.0 108.255 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 61.3 t -76.09 129.65 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.648 0.779 . . . . 0.0 110.372 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -110.89 -7.93 14.54 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.706 1.202 . . . . 0.0 114.049 -177.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.234 0 C-N-CA 125.683 1.593 . . . . 0.0 113.849 178.562 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.451 -0.659 . . . . 0.0 111.451 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 17.4 m -71.36 -20.49 62.15 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -173.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.65 150.58 46.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.172 0.989 . . . . 0.0 112.291 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -110.06 -13.4 14.4 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.434 1.494 . . . . 0.0 113.452 170.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -141.79 158.67 43.51 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 126.84 2.056 . . . . 0.0 112.113 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -130.02 120.34 24.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.586 1.954 . . . . 0.0 109.15 169.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -69.49 137.79 52.85 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.669 1.188 . . . . 0.0 111.707 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 60.2 m -94.2 122.83 37.14 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.642 1.177 . . . . 0.0 110.541 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -92.89 -19.26 21.85 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -72.21 157.36 37.87 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.556 1.142 . . . . 0.0 112.457 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.2 p -97.28 158.16 15.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.197 0.999 . . . . 0.0 111.392 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.5 m -61.83 -8.4 4.84 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -98.45 -41.26 7.87 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.331 1.452 . . . . 0.0 112.422 172.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.46 -42.45 96.2 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.21 0.913 . . . . 0.0 111.6 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 63.4 mt -56.35 -32.08 64.36 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.01 1.324 . . . . 0.0 112.993 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -69.58 -41.11 76.23 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.614 0.766 . . . . 0.0 111.436 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -72.34 -32.6 66.64 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.241 0.616 . . . . 0.0 111.684 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 25.7 mt -66.24 -52.06 51.39 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.32 1.048 . . . . 0.0 111.249 173.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -70.87 -22.82 62.25 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.26 -44.18 30.74 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.123 0.874 . . . . 0.0 112.134 172.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.412 HG21 HG21 ' P' ' 34' ' ' ILE . 0.7 OUTLIER -73.69 -24.85 60.01 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.127 -0.983 . . . . 0.0 112.513 178.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -54.45 -32.73 58.19 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.379 1.472 . . . . 0.0 111.565 168.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.38 -37.84 80.79 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.064 0.764 . . . . 0.0 113.064 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -85.62 -27.3 25.54 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.212 1.005 . . . . 0.0 113.196 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -143.34 100.75 3.68 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.287 1.435 . . . . 0.0 110.023 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -79.02 -13.38 59.82 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.428 0.691 . . . . 0.0 112.72 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -148.69 66.58 9.04 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 125.09 1.356 . . . . 0.0 111.957 -173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -65.59 156.38 64.01 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.223 2.616 . . . . 0.0 112.577 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -115.22 175.63 5.42 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 127.15 2.18 . . . . 0.0 110.457 -177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.5 ptm -49.37 -29.96 7.01 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 38.2 m -82.96 -43.45 16.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.578 0.751 . . . . 0.0 112.572 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -34.54 52.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.958 0.903 . . . . 0.0 112.718 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -56.98 -47.01 81.78 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.827 1.251 . . . . 0.0 111.069 169.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.02 -41.12 97.54 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 122.115 -0.366 . . . . 0.0 111.222 176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -56.74 -30.48 63.6 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.412 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -88.81 -32.59 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-N 119.965 1.257 . . . . 0.0 112.01 172.558 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.36 -28.4 64.03 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.513 1.125 . . . . 0.0 112.927 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -59.54 -32.94 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.656 2.382 . . . . 0.0 113.988 -173.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 35.5 p-90 -115.16 6.75 15.17 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.819 1.248 . . . . 0.0 113.377 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 74.6 p -116.3 5.27 13.57 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.926 1.291 . . . . 0.0 113.157 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.51 42.07 21.55 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.503 1.521 . . . . 0.0 113.324 -177.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -116.01 -176.37 2.93 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.07 1.748 . . . . 0.0 111.369 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 12.9 t -133.33 166.18 23.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.551 1.54 . . . . 0.0 110.04 169.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.93 -35.4 64.15 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.138 -0.977 . . . . 0.0 112.759 -173.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.82 81.77 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.735 1.214 . . . . 0.0 112.295 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -63.05 -43.6 98.19 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.329 -0.857 . . . . 0.0 111.107 173.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.9 t -67.2 -43.98 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-O 119.476 -0.297 . . . . 0.0 110.66 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -54.82 -49.7 70.39 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.492 1.117 . . . . 0.0 111.561 173.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.39 -43.76 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.97 1.308 . . . . 0.0 111.518 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -65.3 -47.44 76.6 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.93 0.786 . . . . 0.0 111.913 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -66.85 -25.27 66.34 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -74.3 -44.07 54.17 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.077 0.951 . . . . 0.0 111.934 170.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -68.21 -24.79 64.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.399 0.68 . . . . 0.0 112.804 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -64.62 -29.84 70.85 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.079 -1.013 . . . . 0.0 112.892 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -62.43 -42.7 99.65 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.752 0.821 . . . . 0.0 112.207 170.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.42 -28.69 70.15 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -82.73 -35.63 26.49 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.582 1.153 . . . . 0.0 113.164 173.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -60.67 -45.71 93.1 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.277 1.431 . . . . 0.0 112.339 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -60.99 -23.49 65.42 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -172.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -79.94 -22.32 42.79 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.678 1.191 . . . . 0.0 112.842 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -109.17 -24.69 11.01 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.704 2.002 . . . . 0.0 113.205 -170.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 54.21 41.73 31.86 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.757 2.023 . . . . 0.0 112.891 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -61.68 -30.34 70.67 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.479 1.512 . . . . 0.0 113.555 -174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -137.15 153.14 50.55 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.038 2.135 . . . . 0.0 110.421 176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 35.5 mm -134.59 132.52 54.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.984 1.714 . . . . 0.0 108.537 176.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -76.31 129.17 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.964 0.906 . . . . 0.0 110.635 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 53.3 p -107.06 -9.56 16.16 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.977 1.311 . . . . 0.0 114.198 -177.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.015 1.726 . . . . 0.0 113.882 178.579 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.559 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 32.8 m -67.03 150.27 49.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.524 1.13 . . . . 0.0 113.125 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -135.07 158.5 44.2 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.586 1.555 . . . . 0.0 111.707 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -142.56 163.38 32.97 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.811 1.644 . . . . 0.0 112.434 178.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -70.46 155.89 40.1 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.719 1.208 . . . . 0.0 111.713 175.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -80.26 66.57 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.842 1.257 . . . . 0.0 111.376 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 53.81 -90.64 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.611 2.364 . . . . 0.0 113.66 -176.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 23.2 m -139.86 131.54 27.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.79 1.636 . . . . 0.0 109.831 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -82.18 -13.83 56.54 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -174.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -116.05 157.89 23.99 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.999 1.72 . . . . 0.0 111.302 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.4 p -94.26 157.79 15.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.743 0.817 . . . . 0.0 111.46 177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -61.67 -8.28 4.39 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 175.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -98.25 -42.35 7.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.292 1.437 . . . . 0.0 112.404 172.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -59.11 -43.67 91.91 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.189 0.904 . . . . 0.0 111.393 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 mt -55.76 -31.52 62.64 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.245 1.418 . . . . 0.0 113.3 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -71.02 -42.47 69.53 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.291 0.637 . . . . 0.0 111.33 178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -70.4 -34.3 72.37 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.147 0.579 . . . . 0.0 111.645 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.45 -51.09 62.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.537 1.135 . . . . 0.0 111.7 173.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -74.04 -19.98 60.45 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.23 -47.81 26.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.757 0.823 . . . . 0.0 112.167 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.442 HG21 HG21 ' P' ' 34' ' ' ILE . 2.0 t -69.66 -25.45 63.91 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.915 -1.116 . . . . 0.0 112.48 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -58.32 -25.39 61.83 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.635 1.574 . . . . 0.0 112.577 170.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -75.52 -38.63 59.26 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.384 -0.823 . . . . 0.0 113.05 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -82.99 -27.41 30.44 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.682 0.793 . . . . 0.0 112.834 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 56.3 t-20 -139.76 104.52 4.92 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.744 1.218 . . . . 0.0 110.236 -174.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -85.47 -7.43 58.92 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.067 0.765 . . . . 0.0 113.067 -178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -152.21 65.13 5.96 Favored Pre-proline 0 CA--C 1.551 1.017 0 C-N-CA 125.362 1.465 . . . . 0.0 111.71 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -67.85 155.35 70.16 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 122.641 2.228 . . . . 0.0 112.915 -175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -116.65 179.3 4.05 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.667 1.987 . . . . 0.0 110.693 -171.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.9 ptm -50.5 -31.46 15.46 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 120.56 -1.338 . . . . 0.0 113.744 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.6 m -82.84 -43.83 16.18 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.673 0.789 . . . . 0.0 111.822 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.74 -34.84 34.09 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 -177.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 46.9 mtm105 -59.47 -44.57 93.0 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.539 1.063 . . . . 0.0 111.843 170.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -63.52 -42.21 98.48 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.265 0.484 . . . . 0.0 111.723 172.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -54.15 -37.34 64.29 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.846 0.748 . . . . 0.0 112.851 -178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.442 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -85.0 -32.66 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.238 0.926 . . . . 0.0 111.824 177.118 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.92 64.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.395 1.078 . . . . 0.0 112.798 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.13 -30.89 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 127.266 2.226 . . . . 0.0 114.104 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.4 p-90 -116.71 7.29 13.45 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.983 1.313 . . . . 0.0 113.52 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -115.0 6.51 15.29 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.683 1.193 . . . . 0.0 113.267 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.83 39.47 23.96 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.479 1.512 . . . . 0.0 113.167 -177.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.7 -178.79 3.47 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.071 1.749 . . . . 0.0 111.273 175.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.1 t -129.88 164.78 23.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.328 1.451 . . . . 0.0 109.91 168.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -58.25 -29.17 65.56 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 120.894 -1.128 . . . . 0.0 113.802 -173.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.11 78.55 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.435 1.094 . . . . 0.0 112.098 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 mmt85 -58.32 -43.99 88.43 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.814 0.846 . . . . 0.0 111.119 173.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.2 t -65.01 -46.24 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 122.894 0.478 . . . . 0.0 110.644 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -60.32 -44.6 95.32 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.832 0.742 . . . . 0.0 112.301 176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.74 -44.07 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.126 0.97 . . . . 0.0 111.585 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -64.82 -48.28 74.97 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.86 -0.525 . . . . 0.0 111.767 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -62.61 -33.53 75.18 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.759 0.823 . . . . 0.0 112.323 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -65.51 -48.26 73.15 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.645 0.778 . . . . 0.0 111.174 174.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -63.82 -38.36 90.82 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.823 0.449 . . . . 0.0 111.606 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -68.66 -38.47 80.44 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 121.428 -0.795 . . . . 0.0 112.777 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -62.29 -42.29 99.23 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.727 0.811 . . . . 0.0 111.967 171.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.29 -31.93 73.03 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -80.55 -36.48 32.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.793 1.237 . . . . 0.0 113.085 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -53.7 -44.39 69.75 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 126.081 1.752 . . . . 0.0 111.231 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -61.18 -20.67 63.01 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -177.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -89.77 -10.32 46.0 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.804 1.641 . . . . 0.0 113.865 175.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -128.35 -14.86 4.72 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.588 1.555 . . . . 0.0 114.326 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 52.7 47.52 24.5 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.023 2.129 . . . . 0.0 112.577 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.16 -32.4 62.1 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.24 1.416 . . . . 0.0 113.427 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -133.49 149.53 51.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.394 2.278 . . . . 0.0 110.125 176.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 45.6 mm -120.78 127.88 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 125.389 1.476 . . . . 0.0 109.497 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 6.5 t -83.67 138.83 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.182 0.993 . . . . 0.0 110.0 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 46.5 p -101.96 9.86 40.17 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.83 1.418 . . . . 0.0 114.83 -169.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.088 1.755 . . . . 0.0 114.799 -179.251 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 49.7 m -136.71 150.09 48.25 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.069 1.348 . . . . 0.0 112.321 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -66.27 -33.73 76.41 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.132 0.973 . . . . 0.0 113.396 -177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 58.36 7.31 0.67 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 127.232 2.213 . . . . 0.0 115.875 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -69.42 141.09 54.15 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.971 1.308 . . . . 0.0 110.626 174.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -88.07 -12.9 42.86 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -172.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 53.02 22.32 2.42 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 127.119 2.168 . . . . 0.0 115.791 172.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 97.9 m -94.84 131.09 41.1 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.799 1.239 . . . . 0.0 110.992 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -87.96 -26.93 22.41 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.202 1.001 . . . . 0.0 113.373 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -80.93 160.81 24.57 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.792 1.237 . . . . 0.0 112.604 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.8 p -98.3 158.27 15.67 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.219 1.008 . . . . 0.0 111.365 173.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 8.4 m -61.78 -9.44 6.55 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -97.46 -41.33 8.25 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.284 1.434 . . . . 0.0 112.472 173.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -59.95 -43.2 95.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.155 0.889 . . . . 0.0 111.571 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.8 mt -55.99 -31.36 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.093 1.357 . . . . 0.0 113.133 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -70.84 -42.44 70.17 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.389 0.675 . . . . 0.0 111.433 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -70.66 -34.46 72.05 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.094 0.558 . . . . 0.0 111.641 179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.91 -51.87 59.57 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.488 1.115 . . . . 0.0 111.536 173.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -72.47 -23.43 61.04 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -46.24 32.61 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.83 0.741 . . . . 0.0 112.117 173.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.403 HG21 HG21 ' P' ' 34' ' ' ILE . 1.2 t -69.93 -27.98 65.21 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.238 -0.914 . . . . 0.0 112.176 179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.11 -27.08 63.39 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.48 1.512 . . . . 0.0 112.976 170.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.7 mm-40 -73.15 -39.37 65.73 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.173 -0.955 . . . . 0.0 113.038 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -86.82 -23.96 25.15 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.416 1.086 . . . . 0.0 113.541 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -137.33 103.69 5.16 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.972 1.309 . . . . 0.0 110.135 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -80.2 -13.05 59.55 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -149.04 64.57 7.57 Favored Pre-proline 0 CA--C 1.553 1.073 0 C-N-CA 125.069 1.348 . . . . 0.0 113.033 -174.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -67.03 169.17 15.54 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.69 2.26 . . . . 0.0 112.155 173.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -140.31 -173.3 3.63 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.56 1.544 . . . . 0.0 110.724 178.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.2 ptm -48.87 -29.58 4.83 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 37.0 m -81.71 -34.76 30.4 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.76 0.709 . . . . 0.0 112.88 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.36 -34.79 14.74 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.689 1.196 . . . . 0.0 113.027 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -62.15 -43.01 99.78 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.807 1.643 . . . . 0.0 111.89 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -63.4 -42.94 98.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.446 0.566 . . . . 0.0 111.004 171.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.1 -31.89 65.74 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.403 HG21 HG21 ' P' ' 19' ' ' THR . 0.8 OUTLIER -86.04 -32.67 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 120.118 1.327 . . . . 0.0 112.261 172.425 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.75 -28.81 64.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.46 1.104 . . . . 0.0 112.841 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.27 -33.31 50.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 127.868 2.467 . . . . 0.0 114.01 -173.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -114.94 7.14 15.54 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.804 1.241 . . . . 0.0 113.329 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -115.56 6.21 14.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.828 1.251 . . . . 0.0 113.233 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 45.5 t30 58.25 40.95 24.2 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.589 1.556 . . . . 0.0 113.798 -176.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.8 mt -117.95 -177.92 3.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.12 1.768 . . . . 0.0 111.564 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.7 t -130.55 163.42 27.12 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.535 1.534 . . . . 0.0 109.375 167.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -32.38 68.3 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.966 -1.084 . . . . 0.0 113.192 -170.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -38.05 89.27 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.561 1.144 . . . . 0.0 112.344 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -61.0 -44.78 96.93 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.411 -0.806 . . . . 0.0 110.924 172.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 11.0 t -64.99 -42.31 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.133 0.573 . . . . 0.0 110.548 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -62.41 -44.85 95.45 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.637 1.175 . . . . 0.0 112.225 176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 50.3 t -62.83 -44.26 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.784 1.234 . . . . 0.0 111.56 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -64.51 -48.64 74.38 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.463 0.574 . . . . 0.0 111.852 -178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -65.09 -33.52 76.23 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 122.955 0.502 . . . . 0.0 111.662 177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -67.06 -38.7 86.26 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.74 0.816 . . . . 0.0 111.858 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -69.07 -44.48 72.47 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.536 0.335 . . . . 0.0 111.9 169.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -62.01 -41.78 98.45 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 121.202 -0.936 . . . . 0.0 112.655 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -69.38 -31.52 69.97 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.67 0.668 . . . . 0.0 112.647 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.9 -30.82 65.78 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 173.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -79.3 -38.62 34.88 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.835 1.254 . . . . 0.0 112.987 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -55.33 -45.16 76.39 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.494 1.517 . . . . 0.0 112.184 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -61.21 -22.77 65.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -174.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -74.25 -25.2 59.49 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.336 1.055 . . . . 0.0 112.983 174.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -113.76 -21.85 10.49 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.537 1.535 . . . . 0.0 113.928 -174.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 55.35 40.35 31.43 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.064 1.746 . . . . 0.0 113.014 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -64.25 -25.81 68.22 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.655 1.182 . . . . 0.0 113.766 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -124.25 144.4 49.99 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.597 1.959 . . . . 0.0 110.278 171.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 3.6 mp -131.71 132.27 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.493 1.517 . . . . 0.0 110.03 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.18 127.74 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 124.254 1.022 . . . . 0.0 109.765 173.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 70.0 p -117.84 -2.77 11.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.754 1.222 . . . . 0.0 114.185 -174.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.99 1.716 . . . . 0.0 113.919 178.149 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 28.5 p -87.94 3.86 47.04 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -174.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 51.63 57.25 6.76 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 126.142 1.777 . . . . 0.0 113.504 170.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 81.6 mtm-85 -82.71 8.11 13.03 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.584 1.554 . . . . 0.0 115.063 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 61.8 ttm-85 -56.64 131.09 47.96 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.569 1.547 . . . . 0.0 111.808 -177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -95.49 -7.88 36.88 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -172.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -129.72 152.86 48.77 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.773 1.629 . . . . 0.0 112.489 -175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 7.4 t -88.36 157.81 18.6 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.316 1.446 . . . . 0.0 112.4 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.63 -0.88 57.81 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.448 1.499 . . . . 0.0 113.37 174.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -106.56 163.17 13.1 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.044 1.737 . . . . 0.0 111.63 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 5.1 p -93.27 157.54 16.2 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.392 0.677 . . . . 0.0 111.111 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -62.56 -7.62 4.99 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -98.81 -41.7 7.52 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.256 1.422 . . . . 0.0 112.4 171.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -58.88 -44.1 91.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.304 0.956 . . . . 0.0 111.27 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 62.5 mt -55.32 -31.87 62.03 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.122 1.369 . . . . 0.0 113.337 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -71.72 -41.96 67.91 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.387 0.675 . . . . 0.0 111.436 178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -70.36 -34.3 72.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.048 0.539 . . . . 0.0 111.555 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 28.5 mt -65.12 -51.89 58.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.45 1.1 . . . . 0.0 111.562 173.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.38 -20.69 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.39 -47.81 25.76 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.661 0.784 . . . . 0.0 112.024 170.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 1.3 t -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.039 -1.038 . . . . 0.0 112.327 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -58.02 -28.42 64.45 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.887 1.675 . . . . 0.0 112.905 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -72.31 -38.89 68.59 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.391 -0.818 . . . . 0.0 112.95 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -86.77 -25.59 24.58 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.463 1.105 . . . . 0.0 113.312 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -138.43 101.63 4.42 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.145 1.378 . . . . 0.0 109.845 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -79.3 -12.56 59.94 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 -176.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -150.32 65.67 7.36 Favored Pre-proline 0 CA--C 1.551 0.985 0 C-N-CA 125.089 1.356 . . . . 0.0 112.033 -173.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -65.68 152.07 82.75 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.055 2.503 . . . . 0.0 112.497 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -109.06 175.83 5.31 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.82 2.048 . . . . 0.0 110.046 -176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 23.7 ptm -49.63 -35.45 21.18 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.976 1.262 . . . . 0.0 113.006 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.3 m -75.88 -42.09 50.21 Favored 'General case' 0 N--CA 1.467 0.416 0 O-C-N 121.677 -0.64 . . . . 0.0 112.483 -179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.27 -34.29 37.12 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.827 0.851 . . . . 0.0 112.903 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 80.1 mtm-85 -60.67 -44.74 96.12 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.558 1.143 . . . . 0.0 111.756 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -61.12 -43.57 98.68 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 118.245 0.475 . . . . 0.0 111.332 171.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.96 -30.58 66.11 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.26 -32.23 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 119.895 1.225 . . . . 0.0 112.062 172.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.38 -29.57 66.25 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.491 1.116 . . . . 0.0 112.915 -176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.65 -32.27 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.831 2.452 . . . . 0.0 113.956 -172.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 34.8 p-90 -115.68 7.13 14.64 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.986 1.314 . . . . 0.0 113.435 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -115.45 6.42 14.75 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.667 1.187 . . . . 0.0 113.231 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.61 40.61 23.35 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.321 1.449 . . . . 0.0 113.018 -176.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.8 mt -117.47 -179.09 3.62 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.163 1.785 . . . . 0.0 111.33 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.7 t -128.69 161.88 28.65 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.522 1.529 . . . . 0.0 109.257 167.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.65 -27.64 67.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 120.547 -1.346 . . . . 0.0 113.57 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.18 91.07 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.259 1.024 . . . . 0.0 112.504 174.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mmt85 -59.4 -45.62 91.0 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 121.407 -0.808 . . . . 0.0 110.893 171.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.9 -44.06 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 123.255 0.622 . . . . 0.0 110.447 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -58.28 -47.28 84.15 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.637 1.175 . . . . 0.0 111.578 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.6 -46.57 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.002 1.321 . . . . 0.0 111.355 176.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -62.9 -47.58 82.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.931 0.492 . . . . 0.0 111.884 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -65.7 -32.41 73.96 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.276 0.63 . . . . 0.0 112.275 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -65.68 -44.97 84.62 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.512 0.725 . . . . 0.0 111.364 173.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -67.24 -39.23 86.14 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 122.636 0.374 . . . . 0.0 111.817 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -65.03 -43.22 93.15 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.435 -0.79 . . . . 0.0 112.571 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 23.1 ptt-85 -68.88 -33.05 73.14 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.027 0.831 . . . . 0.0 112.204 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 -44.0 85.92 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 122.805 0.442 . . . . 0.0 111.827 172.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -67.92 -33.95 75.67 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.132 1.373 . . . . 0.0 112.905 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -65.24 -49.73 68.53 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.528 1.131 . . . . 0.0 111.115 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -60.18 -20.84 60.44 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -67.7 -26.42 66.16 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.892 0.877 . . . . 0.0 112.888 173.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.35 -31.01 5.75 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.522 1.929 . . . . 0.0 113.695 -173.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 55.03 46.0 25.14 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.588 1.955 . . . . 0.0 112.928 -170.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.48 -45.8 89.1 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 121.377 -0.827 . . . . 0.0 112.631 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -88.33 138.62 31.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.42 1.088 . . . . 0.0 110.035 169.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 55.4 mt -138.13 133.72 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.338 1.455 . . . . 0.0 109.504 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 47.1 t -91.18 125.86 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.276 1.03 . . . . 0.0 109.408 170.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 63.3 p -109.43 -5.83 15.66 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -174.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 125.944 1.698 . . . . 0.0 113.858 177.686 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.8 m 53.92 39.93 31.0 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 125.585 1.554 . . . . 0.0 114.783 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -65.57 141.62 58.37 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.065 0.946 . . . . 0.0 113.036 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 52.3 ttt85 -86.96 59.3 5.56 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.312 1.445 . . . . 0.0 111.709 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -125.17 144.66 50.33 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.454 1.902 . . . . 0.0 111.545 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -99.45 53.06 0.94 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.369 1.468 . . . . 0.0 111.448 -178.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 57.72 16.43 3.49 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.906 2.083 . . . . 0.0 115.433 -174.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 91.8 m -139.83 138.71 35.99 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.2 1.8 . . . . 0.0 109.983 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -117.55 -15.94 10.19 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -173.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -74.62 156.7 36.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.706 0.802 . . . . 0.0 112.678 -176.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 4.6 p -99.18 158.34 15.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.322 1.049 . . . . 0.0 111.454 175.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 7.3 m -61.86 -9.97 8.11 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -95.81 -41.17 8.97 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.384 1.474 . . . . 0.0 112.48 172.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.9 -42.06 98.63 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.206 0.912 . . . . 0.0 111.552 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 mt -56.17 -31.68 63.63 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.105 1.362 . . . . 0.0 112.932 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -69.14 -41.78 76.86 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.696 0.798 . . . . 0.0 111.554 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -72.57 -34.05 67.2 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 122.989 0.515 . . . . 0.0 111.559 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 31.0 mt -64.64 -51.2 63.84 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.335 1.054 . . . . 0.0 111.276 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.63 -29.4 67.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.499 0.926 . . . . 0.0 113.499 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.64 -38.29 59.0 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.131 0.878 . . . . 0.0 112.867 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . 0.428 HG21 HG21 ' P' ' 34' ' ' ILE . 1.2 t -78.65 -24.39 45.23 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 121.556 -0.715 . . . . 0.0 112.344 176.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -62.05 -27.36 68.84 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.429 1.092 . . . . 0.0 112.599 170.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -70.24 -39.54 74.99 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.207 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -91.01 -22.01 20.99 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.489 1.115 . . . . 0.0 113.926 -179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 63.2 t-20 -135.51 103.67 5.55 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.719 1.208 . . . . 0.0 110.029 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 24' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -81.9 -9.44 59.59 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -151.32 64.3 6.02 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 124.889 1.276 . . . . 0.0 112.553 -172.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -66.61 152.97 79.61 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 122.993 2.462 . . . . 0.0 112.408 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -114.7 178.33 4.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.344 2.257 . . . . 0.0 110.523 -173.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 22.0 ptm -51.58 -28.06 12.92 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.624 -1.298 . . . . 0.0 114.043 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 41.0 m -84.09 -44.5 14.0 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.739 0.816 . . . . 0.0 112.161 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.45 -34.24 41.73 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.144 0.978 . . . . 0.0 113.27 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 81.2 mtm-85 -58.78 -46.1 88.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.159 0.983 . . . . 0.0 111.717 169.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -60.9 -43.2 98.84 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 122.004 -0.435 . . . . 0.0 111.419 171.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.66 -32.18 67.05 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . 0.428 HG21 HG21 ' P' ' 19' ' ' THR . 0.7 OUTLIER -85.33 -32.82 7.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.908 1.231 . . . . 0.0 111.925 172.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.9 -29.9 67.21 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.54 1.136 . . . . 0.0 112.883 -176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -59.4 -32.93 49.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.867 2.467 . . . . 0.0 113.944 -172.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -115.01 7.12 15.45 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.908 1.283 . . . . 0.0 113.461 -179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 70.6 p -115.41 5.94 14.67 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.715 1.206 . . . . 0.0 113.147 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 48.0 t30 57.86 40.85 25.58 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 125.649 1.58 . . . . 0.0 113.653 -176.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -117.04 179.74 3.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.975 1.71 . . . . 0.0 111.589 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 13.2 t -126.22 163.55 22.92 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.127 1.371 . . . . 0.0 109.591 168.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -29.67 69.08 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.87 -1.144 . . . . 0.0 113.249 -171.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.63 -30.97 70.68 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.973 1.309 . . . . 0.0 113.217 174.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -70.22 -38.42 75.25 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.055 0.843 . . . . 0.0 111.179 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 12.8 t -67.62 -47.36 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 174.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -54.66 -50.0 69.24 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.344 . . . . 0.0 111.623 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -70.37 -36.67 67.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.083 0.553 . . . . 0.0 112.232 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 52.1 t90 -65.04 -48.29 74.39 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.602 0.637 . . . . 0.0 111.394 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -66.03 -31.24 72.02 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.872 0.869 . . . . 0.0 112.357 179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -69.76 -41.22 75.47 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.389 1.076 . . . . 0.0 111.855 174.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -68.72 -40.9 79.7 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -61.98 -40.79 96.83 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -70.55 -33.44 71.13 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.69 96.28 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 122.129 -0.357 . . . . 0.0 111.613 171.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -70.95 -36.41 72.58 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.836 0.854 . . . . 0.0 113.035 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -58.87 -47.01 86.44 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.94 0.896 . . . . 0.0 111.877 174.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 69.2 mtp85 -61.32 -22.05 64.54 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -67.16 -24.97 65.94 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 171.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -113.4 -32.07 6.36 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.725 1.61 . . . . 0.0 114.175 -177.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 55.32 44.65 27.01 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.139 1.775 . . . . 0.0 113.256 -170.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -64.47 -46.82 81.4 Favored 'General case' 0 N--CA 1.482 1.135 0 O-C-N 121.296 -0.878 . . . . 0.0 112.335 179.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -86.35 151.0 23.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.636 1.174 . . . . 0.0 110.47 168.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 38.7 mm -127.59 130.11 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.233 1.413 . . . . 0.0 109.638 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.16 140.29 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.349 1.06 . . . . 0.0 110.278 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 4.8 t -80.92 -5.96 58.09 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.252 1.233 0 C-N-CA 126.44 1.896 . . . . 0.0 112.927 -178.744 . . . . . . . . 0 0 . 1 stop_ save_